BDBM50211578 (S)-1-[(R)-4-(1-oxy-pyridin-2-yl)-2-phenylmethanesulfonylamino-butyryl]-pyrrolidine-2-carboxylic acid 2-aminomethyl-5-chloro-benzylamide::CHEMBL396286

SMILES: NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1

InChI Key: InChIKey=VVRYCAATWSEKQQ-SXOMAYOGSA-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 = 50211578   

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
Coagulation factor X (Homo sapiens (Human))	BDBM50211578 ((S)-1-[(R)-4-(1-oxy-pyridin-2-yl)-2-phenylmethanes...) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C29H34ClN5O5S/c30-24-12-11-22(18-31)23(17-24)19-32-28(36)27-10-6-15-34(27)29(37)26(14-13-25-9-4-5-16-35(25)38)33-41(39,40)20-21-7-2-1-3-8-21/h1-5,7-9,11-12,16-17,26-27,33H,6,10,13-15,18-20,31H2,(H,32,36)/t26-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Discovery GmbH Curated by ChEMBL					Assay Description Inhibition of factor 10a				Bioorg Med Chem Lett 17: 3322-9 (2007) Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K
					More data for this Ligand-Target Pair
Thrombin and coagulation factor X (Homo sapiens (Human))	BDBM50211578 ((S)-1-[(R)-4-(1-oxy-pyridin-2-yl)-2-phenylmethanes...) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C29H34ClN5O5S/c30-24-12-11-22(18-31)23(17-24)19-32-28(36)27-10-6-15-34(27)29(37)26(14-13-25-9-4-5-16-35(25)38)33-41(39,40)20-21-7-2-1-3-8-21/h1-5,7-9,11-12,16-17,26-27,33H,6,10,13-15,18-20,31H2,(H,32,36)/t26-,27+/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Discovery GmbH Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 17: 3322-9 (2007) Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM50211578 ((S)-1-[(R)-4-(1-oxy-pyridin-2-yl)-2-phenylmethanes...) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C29H34ClN5O5S/c30-24-12-11-22(18-31)23(17-24)19-32-28(36)27-10-6-15-34(27)29(37)26(14-13-25-9-4-5-16-35(25)38)33-41(39,40)20-21-7-2-1-3-8-21/h1-5,7-9,11-12,16-17,26-27,33H,6,10,13-15,18-20,31H2,(H,32,36)/t26-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Discovery GmbH Curated by ChEMBL					Assay Description Inhibition of uPA				Bioorg Med Chem Lett 17: 3322-9 (2007) Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K
					More data for this Ligand-Target Pair