BDBM50133093 (R)-N-{(S)-1-[(S)-4-guanidino-1-(thiazole-2-carbonyl)-butylcarbamoyl]-2-hydroxy-ethyl}-3-phenyl-2-phenylmethanesulfonylamino-propionamide::CHEMBL275859

SMILES: NC(=N)NCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1

InChI Key: InChIKey=MVFBAGHUGNQNBW-ZRBLBEILSA-N

Data: 6 IC50

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 6 hits for monomerid = 50133093   

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))	BDBM50133093 ((R)-N-{(S)-1-[(S)-4-guanidino-1-(thiazole-2-carbon...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C28H35N7O6S2/c29-28(30)32-13-7-12-21(24(37)27-31-14-15-42-27)33-26(39)23(17-36)34-25(38)22(16-19-8-3-1-4-9-19)35-43(40,41)18-20-10-5-2-6-11-20/h1-6,8-11,14-15,21-23,35-36H,7,12-13,16-18H2,(H,33,39)(H,34,38)(H4,29,30,32)/t21-,22+,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Corporation Curated by ChEMBL					Assay Description Inhibitory activity against thrombin (IIa).				J Med Chem 46: 4043-9 (2003) Article DOI: 10.1021/jm030130t BindingDB Entry DOI: 10.7270/Q2BC4092
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50133093 ((R)-N-{(S)-1-[(S)-4-guanidino-1-(thiazole-2-carbon...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C28H35N7O6S2/c29-28(30)32-13-7-12-21(24(37)27-31-14-15-42-27)33-26(39)23(17-36)34-25(38)22(16-19-8-3-1-4-9-19)35-43(40,41)18-20-10-5-2-6-11-20/h1-6,8-11,14-15,21-23,35-36H,7,12-13,16-18H2,(H,33,39)(H,34,38)(H4,29,30,32)/t21-,22+,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Corporation Curated by ChEMBL					Assay Description Inhibitory activity against tissue coagulation factor VII.				J Med Chem 46: 4043-9 (2003) Article DOI: 10.1021/jm030130t BindingDB Entry DOI: 10.7270/Q2BC4092
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50133093 ((R)-N-{(S)-1-[(S)-4-guanidino-1-(thiazole-2-carbon...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C28H35N7O6S2/c29-28(30)32-13-7-12-21(24(37)27-31-14-15-42-27)33-26(39)23(17-36)34-25(38)22(16-19-8-3-1-4-9-19)35-43(40,41)18-20-10-5-2-6-11-20/h1-6,8-11,14-15,21-23,35-36H,7,12-13,16-18H2,(H,33,39)(H,34,38)(H4,29,30,32)/t21-,22+,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of human factor 7a				Bioorg Med Chem 16: 1562-95 (2008) Article DOI: 10.1016/j.bmc.2007.11.015 BindingDB Entry DOI: 10.7270/Q21J9BNH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50133093 ((R)-N-{(S)-1-[(S)-4-guanidino-1-(thiazole-2-carbon...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C28H35N7O6S2/c29-28(30)32-13-7-12-21(24(37)27-31-14-15-42-27)33-26(39)23(17-36)34-25(38)22(16-19-8-3-1-4-9-19)35-43(40,41)18-20-10-5-2-6-11-20/h1-6,8-11,14-15,21-23,35-36H,7,12-13,16-18H2,(H,33,39)(H,34,38)(H4,29,30,32)/t21-,22+,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of human alpha-thrombin				Bioorg Med Chem 16: 1562-95 (2008) Article DOI: 10.1016/j.bmc.2007.11.015 BindingDB Entry DOI: 10.7270/Q21J9BNH
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50133093 ((R)-N-{(S)-1-[(S)-4-guanidino-1-(thiazole-2-carbon...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C28H35N7O6S2/c29-28(30)32-13-7-12-21(24(37)27-31-14-15-42-27)33-26(39)23(17-36)34-25(38)22(16-19-8-3-1-4-9-19)35-43(40,41)18-20-10-5-2-6-11-20/h1-6,8-11,14-15,21-23,35-36H,7,12-13,16-18H2,(H,33,39)(H,34,38)(H4,29,30,32)/t21-,22+,23-/m0/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	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem 16: 1562-95 (2008) Article DOI: 10.1016/j.bmc.2007.11.015 BindingDB Entry DOI: 10.7270/Q21J9BNH
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50133093 ((R)-N-{(S)-1-[(S)-4-guanidino-1-(thiazole-2-carbon...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C28H35N7O6S2/c29-28(30)32-13-7-12-21(24(37)27-31-14-15-42-27)33-26(39)23(17-36)34-25(38)22(16-19-8-3-1-4-9-19)35-43(40,41)18-20-10-5-2-6-11-20/h1-6,8-11,14-15,21-23,35-36H,7,12-13,16-18H2,(H,33,39)(H,34,38)(H4,29,30,32)/t21-,22+,23-/m0/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	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Corporation Curated by ChEMBL					Assay Description Inhibitory activity against coagulation factor X.				J Med Chem 46: 4043-9 (2003) Article DOI: 10.1021/jm030130t BindingDB Entry DOI: 10.7270/Q2BC4092
					More data for this Ligand-Target Pair