BDBM50060757 (S)-1-[(R)-3-(3,4-Dichloro-phenyl)-2-phenylmethanesulfonylamino-propionyl]-pyrrolidine-2-carboxylic acid (pyridin-3-ylmethyl)-amide::CHEMBL124408

SMILES: Clc1ccc(C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)NCc2cccnc2)cc1Cl

InChI Key: InChIKey=ZGSQQUUFGWQGEL-RPBOFIJWSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50060757   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prothrombin (Homo sapiens (Human))	BDBM50060757 ((S)-1-[(R)-3-(3,4-Dichloro-phenyl)-2-phenylmethane...) Show SMILES Clc1ccc(C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)NCc2cccnc2)cc1Cl Show InChI InChI=1S/C27H28Cl2N4O4S/c28-22-11-10-20(14-23(22)29)15-24(32-38(36,37)18-19-6-2-1-3-7-19)27(35)33-13-5-9-25(33)26(34)31-17-21-8-4-12-30-16-21/h1-4,6-8,10-12,14,16,24-25,32H,5,9,13,15,17-18H2,(H,31,34)/t24-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against human thrombin(IIa)				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50060757 ((S)-1-[(R)-3-(3,4-Dichloro-phenyl)-2-phenylmethane...) Show SMILES Clc1ccc(C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)NCc2cccnc2)cc1Cl Show InChI InChI=1S/C27H28Cl2N4O4S/c28-22-11-10-20(14-23(22)29)15-24(32-38(36,37)18-19-6-2-1-3-7-19)27(35)33-13-5-9-25(33)26(34)31-17-21-8-4-12-30-16-21/h1-4,6-8,10-12,14,16,24-25,32H,5,9,13,15,17-18H2,(H,31,34)/t24-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Coagulation factor X				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Trypsin (Bos taurus (bovine))	BDBM50060757 ((S)-1-[(R)-3-(3,4-Dichloro-phenyl)-2-phenylmethane...) Show SMILES Clc1ccc(C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)NCc2cccnc2)cc1Cl Show InChI InChI=1S/C27H28Cl2N4O4S/c28-22-11-10-20(14-23(22)29)15-24(32-38(36,37)18-19-6-2-1-3-7-19)27(35)33-13-5-9-25(33)26(34)31-17-21-8-4-12-30-16-21/h1-4,6-8,10-12,14,16,24-25,32H,5,9,13,15,17-18H2,(H,31,34)/t24-,25+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.84E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against bovine trypsin				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair