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Literature summary for 1.3.1.9 extracted from
- Receptor based 3D-QSAR to identify putative binders of Mycobacterium tuberculosis enoyl acyl carrier protein reductase (2010), J. Mol. Model., 16, 877-893.
Application
| Application | Comment | Organism |
|---|---|---|
| medicine | Mycobacterium tuberculosis enoyl acyl carrier protein reductase represents a prospective drug target against tuberculosis, identified MtENR binders can be characterized as potential therapeutic targets laying a foundation for future lead identification and optimization studies | Mycobacterium tuberculosis |
Inhibitors
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| 1-(3-chlorocyclohexyl)-4-[(2-fluorophenyl)carbonyl]piperazine | - |
Mycobacterium tuberculosis |  |
| 1-(3-chlorocyclohexyl)-4-[(3,4-dichlorophenyl)carbonyl]piperazine | - |
Mycobacterium tuberculosis | |
| 1-(3-chlorocyclohexyl)-4-[(3,4-dimethylphenyl)carbonyl]piperazine | - |
Mycobacterium tuberculosis | |
| 1-(3-chlorocyclohexyl)-4-[(3-chlorophenyl)carbonyl]piperazine | - |
Mycobacterium tuberculosis | |
| 1-(3-chlorocyclohexyl)-4-[(3-methylphenyl)carbonyl]piperazine | - |
Mycobacterium tuberculosis | |
| 1-(3-chlorocyclohexyl)-4-[(4-fluorophenyl)carbonyl]piperazine | - |
Mycobacterium tuberculosis | |
| 1-(3-chlorocyclohexyl)-4-[(4-methylphenyl)carbonyl]piperazine | - |
Mycobacterium tuberculosis | |
| 1-(9H-fluoren-9-yl)-4-(phenylcarbonyl)piperazine | - |
Mycobacterium tuberculosis | |
| 1-(9H-fluoren-9-yl)-4-[(4-methylphenyl)carbonyl]piperazine | - |
Mycobacterium tuberculosis | |
| 1-(cyclohexylmethyl)-4-(phenylcarbonyl)piperazine | - |
Mycobacterium tuberculosis | |
| 1-cyclohexyl-4-(phenylcarbonyl)piperazine | - |
Mycobacterium tuberculosis | |
| 1-cyclohexyl-4-[(3,4-dichlorophenyl)carbonyl]piperazine | - |
Mycobacterium tuberculosis | |
| 1-cyclohexyl-4-[(4-methylphenyl)carbonyl]piperazine | - |
Mycobacterium tuberculosis | |
| 1-[(3,4-dimethylphenyl)carbonyl]-4-[3-(trifluoromethyl)cyclohexyl]piperazine | - |
Mycobacterium tuberculosis | |
| 1-[(3-chlorophenyl)carbonyl]-4-(cyclohexylmethyl)piperidine | - |
Mycobacterium tuberculosis | |
| 1-[(3-methylphenyl)carbonyl]-4-(4-nitrocyclohexyl)piperazine | - |
Mycobacterium tuberculosis | |
| 1-[(4-methylphenyl)carbonyl]-4-[3-(trifluoromethyl)cyclohexyl]piperazine | - |
Mycobacterium tuberculosis | |
| 1-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-1-yl]ethanone | - |
Mycobacterium tuberculosis | |
| 1-[bis(4-fluorophenyl)methyl]-4-(phenylcarbonyl)piperazine | - |
Mycobacterium tuberculosis | |
| 1-[bis(4-fluorophenyl)methyl]-4-[(4-methylphenyl)carbonyl]piperazine | - |
Mycobacterium tuberculosis | |
| 4-(cyclohexylmethyl)-1-[(2-fluorophenyl)carbonyl]piperidine | - |
Mycobacterium tuberculosis | |
| 4-(cyclohexylmethyl)-1-[(3-methylphenyl)carbonyl]piperidine | - |
Mycobacterium tuberculosis | |
| 4-(cyclohexylmethyl)-1-[(4-methylphenyl)carbonyl]piperidine | - |
Mycobacterium tuberculosis | |
| 5-([4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]carbonyl)-1H-indole | - |
Mycobacterium tuberculosis | |
| 5-[[4-(2,4,7-trichloro-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole | - |
Mycobacterium tuberculosis | |
| 5-[[4-(2,7-dibromo-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole | - |
Mycobacterium tuberculosis | |
| 5-[[4-(2,7-diiodo-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole | - |
Mycobacterium tuberculosis | |
| 5-[[4-(2-methoxy-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole | - |
Mycobacterium tuberculosis | |
| 5-[[4-(2-nitro-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole | - |
Mycobacterium tuberculosis | |
| 5-[[4-(3-nitro-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole | - |
Mycobacterium tuberculosis | |
| 5-[[4-(4-methoxy-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole | - |
Mycobacterium tuberculosis | |
| 5-[[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole | - |
Mycobacterium tuberculosis | |
| 9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-N,N-dimethyl-9H-fluoren-2-amine | - |
Mycobacterium tuberculosis | |
| Genz10850 | - |
Mycobacterium tuberculosis | |
| isoniazid | - |
Mycobacterium tuberculosis | |
| N-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]benzamide | - |
Mycobacterium tuberculosis | |
| N-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]butanamide | - |
Mycobacterium tuberculosis | |
| N-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]formamide | - |
Mycobacterium tuberculosis | |
| [9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]carbamic acid | - |
Mycobacterium tuberculosis | |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Mycobacterium tuberculosis | P9WGR1 | - |
- |
| Mycobacterium tuberculosis H37Rv | P9WGR1 | - |
- |
Synonyms
| Synonyms | Comment | Organism |
|---|---|---|
| enoyl acyl carrier protein reductase | - |
Mycobacterium tuberculosis |
| MtENR | - |
Mycobacterium tuberculosis |
Cofactor
| Cofactor | Comment | Organism | Structure |
|---|---|---|---|
| NADH | - |
Mycobacterium tuberculosis | |
IC50 Value
| IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
|---|---|---|---|---|---|
| 0.00009 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-(9H-fluoren-9-yl)-4-(phenylcarbonyl)piperazine | |
| 0.00012 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 5-[[4-(2,7-dibromo-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole | |
| 0.00013 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 5-[[4-(2-nitro-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole | |
| 0.00013 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 5-[[4-(3-nitro-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole | |
| 0.00013 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 5-[[4-(2,7-diiodo-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole | |
| 0.00016 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 5-[[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole | |
| 0.00017 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 5-[[4-(2,4,7-trichloro-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole | |
| 0.00018 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | N-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]formamide | |
| 0.00028 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | [9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]carbamic acid | |
| 0.00034 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-1-yl]ethanone | |
| 0.0004 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-(9H-fluoren-9-yl)-4-[(4-methylphenyl)carbonyl]piperazine | |
| 0.00046 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | N-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]butanamide | |
| 0.00052 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 5-[[4-(2-methoxy-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole | |
| 0.00052 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 5-[[4-(4-methoxy-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole | |
| 0.00059 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | N-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]benzamide | |
| 0.00091 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-N,N-dimethyl-9H-fluoren-2-amine | |
| 0.00099 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-(3-chlorocyclohexyl)-4-[(3,4-dimethylphenyl)carbonyl]piperazine | |
| 0.00104 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 5-([4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]carbonyl)-1H-indole | |
| 0.00185 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-[(3,4-dimethylphenyl)carbonyl]-4-[3-(trifluoromethyl)cyclohexyl]piperazine | |
| 0.00189 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-[bis(4-fluorophenyl)methyl]-4-[(4-methylphenyl)carbonyl]piperazine | |
| 0.00204 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-[bis(4-fluorophenyl)methyl]-4-(phenylcarbonyl)piperazine | |
| 0.00307 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-(3-chlorocyclohexyl)-4-[(4-methylphenyl)carbonyl]piperazine | |
| 0.00516 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 4-(cyclohexylmethyl)-1-[(4-methylphenyl)carbonyl]piperidine | |
| 0.00605 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-(3-chlorocyclohexyl)-4-[(3,4-dichlorophenyl)carbonyl]piperazine | |
| 0.00626 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-[(4-methylphenyl)carbonyl]-4-[3-(trifluoromethyl)cyclohexyl]piperazine | |
| 0.00673 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-(3-chlorocyclohexyl)-4-[(3-chlorophenyl)carbonyl]piperazine | |
| 0.00739 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 4-(cyclohexylmethyl)-1-[(3-methylphenyl)carbonyl]piperidine | |
| 0.00774 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-[(3-chlorophenyl)carbonyl]-4-(cyclohexylmethyl)piperidine | |
| 0.00943 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-(3-chlorocyclohexyl)-4-[(3-methylphenyl)carbonyl]piperazine | |
| 0.00974 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-(3-chlorocyclohexyl)-4-[(4-fluorophenyl)carbonyl]piperazine | |
| 0.01387 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-(3-chlorocyclohexyl)-4-[(2-fluorophenyl)carbonyl]piperazine | |
| 0.01411 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 4-(cyclohexylmethyl)-1-[(2-fluorophenyl)carbonyl]piperidine | |
| 0.01547 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-[(3-methylphenyl)carbonyl]-4-(4-nitrocyclohexyl)piperazine | |
| 0.01664 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-cyclohexyl-4-[(4-methylphenyl)carbonyl]piperazine | |
| 0.01762 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-cyclohexyl-4-[(3,4-dichlorophenyl)carbonyl]piperazine | |
| 0.0315 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-(cyclohexylmethyl)-4-(phenylcarbonyl)piperazine | |
| 0.03886 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-cyclohexyl-4-(phenylcarbonyl)piperazine | |
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