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Literature summary for 3.4.21.46 extracted from

  • Vulpetti, A.; Ostermann, N.; Randl, S.; Yoon, T.; Mac Sweeney, A.; Cumin, F.; Lorthiois, E.; Ruedisser, S.; Erbel, P.; Maibaum, J.
    Discovery and design of first benzylamine-based ligands binding to an unlocked conformation of the complement factor D (2018), ACS Med. Chem. Lett., 9, 490-495 .
    View publication on PubMedView publication on EuropePMC

Inhibitors

Inhibitors Comment Organism Structure
(1R,2S)-2-([4-[3-(aminomethyl)anilino]quinazolin-2-yl]amino)cyclohexane-1-carboxylic acid
-
Homo sapiens
(2S)-2-([4-[3-(aminomethyl)anilino]pyrimidin-2-yl]amino)-3-methylbutanoic acid
-
Homo sapiens
(2S)-2-([4-[3-(aminomethyl)anilino]quinazolin-2-yl]amino)-3-methylbutanoic acid
-
Homo sapiens
1-(2-[(1R,3S,5R)-3-[(6-bromopyridin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl)-1H-indazole-3-carboxamide
-
Homo sapiens
1-[2-[(1R,3S,5R)-3-[[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
-
Homo sapiens
3'-(aminomethyl)-5-(3-methylbutanamido)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)[1,1'-biphenyl]-3-carboxamide (incorrect configuration definition!)
-
Homo sapiens
3'-(aminomethyl)-N-benzyl[1,1'-biphenyl]-3-carboxamide
-
Homo sapiens
3'-(aminomethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl][1,1'-biphenyl]-3-carboxamide
-
Homo sapiens
3'-(aminomethyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl][1,1'-biphenyl]-3-carboxamide
-
Homo sapiens
3-([3-[3-(aminomethyl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino)phenol
-
Homo sapiens
3-[[(2-carbamoyl-1H-indol-5-yl)oxy]methyl]benzoic acid
-
Homo sapiens
methyl 2-([[(2S)-2-[[3-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-1-carbonyl]amino]methyl)benzoate
-
Homo sapiens
N-[3'-(aminomethyl)[1,1'-biphenyl]-3-yl]-2-phenylacetamide
-
Homo sapiens
N-[3'-(aminomethyl)[1,1'-biphenyl]-3-yl]-3-methylbutanamide
-
Homo sapiens
N-[3'-(aminomethyl)[1,1'-biphenyl]-3-yl]-3-phenylpropanamide
-
Homo sapiens
N-[3'-(aminomethyl)[1,1'-biphenyl]-3-yl]acetamide
-
Homo sapiens
N-[3'-(aminomethyl)[1,1'-biphenyl]-3-yl]benzamide
-
Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens P00746
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
benzyloxycarbonyl-Lys-thiobenzylester + H2O
-
Homo sapiens ?
-
?

Synonyms

Synonyms Comment Organism
factor D
-
Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.000006
-
at pH 7.5 and 25°C Homo sapiens 1-(2-[(1R,3S,5R)-3-[(6-bromopyridin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl)-1H-indazole-3-carboxamide
0.000017
-
at pH 7.5 and 25°C Homo sapiens 1-[2-[(1R,3S,5R)-3-[[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
0.0034
-
at pH 7.5 and 25°C Homo sapiens 3'-(aminomethyl)-5-(3-methylbutanamido)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)[1,1'-biphenyl]-3-carboxamide (incorrect configuration definition!)
0.014
-
at pH 7.5 and 25°C Homo sapiens methyl 2-([[(2S)-2-[[3-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-1-carbonyl]amino]methyl)benzoate
0.02
-
at pH 7.5 and 25°C Homo sapiens 3-([3-[3-(aminomethyl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino)phenol
0.043
-
at pH 7.5 and 25°C Homo sapiens N-[3'-(aminomethyl)[1,1'-biphenyl]-3-yl]-2-phenylacetamide
0.044
-
at pH 7.5 and 25°C Homo sapiens (2S)-2-([4-[3-(aminomethyl)anilino]pyrimidin-2-yl]amino)-3-methylbutanoic acid
0.054
-
at pH 7.5 and 25°C Homo sapiens 3'-(aminomethyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl][1,1'-biphenyl]-3-carboxamide
0.075
-
at pH 7.5 and 25°C Homo sapiens (2S)-2-([4-[3-(aminomethyl)anilino]quinazolin-2-yl]amino)-3-methylbutanoic acid
0.084
-
at pH 7.5 and 25°C Homo sapiens (1R,2S)-2-([4-[3-(aminomethyl)anilino]quinazolin-2-yl]amino)cyclohexane-1-carboxylic acid
0.098
-
at pH 7.5 and 25°C Homo sapiens 3'-(aminomethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl][1,1'-biphenyl]-3-carboxamide
0.12
-
at pH 7.5 and 25°C Homo sapiens N-[3'-(aminomethyl)[1,1'-biphenyl]-3-yl]-3-methylbutanamide
0.14
-
at pH 7.5 and 25°C Homo sapiens N-[3'-(aminomethyl)[1,1'-biphenyl]-3-yl]-3-phenylpropanamide
0.257
-
at pH 7.5 and 25°C Homo sapiens N-[3'-(aminomethyl)[1,1'-biphenyl]-3-yl]benzamide
0.31
-
at pH 7.5 and 25°C Homo sapiens 3'-(aminomethyl)-N-benzyl[1,1'-biphenyl]-3-carboxamide
0.69
-
at pH 7.5 and 25°C Homo sapiens N-[3'-(aminomethyl)[1,1'-biphenyl]-3-yl]acetamide