Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50056774'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prothrombin (Homo sapiens (Human))	BDBM50056774 ((S)-1-((R)-3-Phenyl-2-phenylmethanesulfonylamino-p...) Show SMILES NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc2ccccc2)CC1 |wU:9.8,wD:16.25,(16.18,-5.42,;16.95,-6.75,;16.92,-8.41,;17.46,-9.87,;16.25,-10.69,;16.69,-12.16,;15.64,-13.28,;14.15,-12.93,;13.1,-14.05,;13.68,-11.46,;14.61,-10.23,;13.75,-8.97,;12.23,-9.43,;12.23,-10.97,;10.97,-11.84,;11.09,-13.38,;9.57,-11.18,;9.46,-9.66,;10.72,-8.77,;12.26,-8.77,;13,-7.44,;12.26,-6.1,;10.72,-6.1,;9.92,-7.44,;8.31,-12.07,;6.98,-12.83,;7.75,-14.19,;6.21,-11.49,;5.63,-13.61,;4.3,-12.84,;4.3,-11.3,;2.97,-10.53,;1.64,-11.3,;1.64,-12.86,;2.97,-13.61,;16.41,-9.22,;15.85,-7.85,)| Show InChI InChI=1S/C28H38N4O4S/c29-24-15-13-22(14-16-24)19-30-27(33)26-12-7-17-32(26)28(34)25(18-21-8-3-1-4-9-21)31-37(35,36)20-23-10-5-2-6-11-23/h1-6,8-11,22,24-26,31H,7,12-20,29H2,(H,30,33)/t22?,24?,25-,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards thrombin				J Med Chem 40: 830-2 (1997) Article DOI: 10.1021/jm960762y BindingDB Entry DOI: 10.7270/Q25H7GXW
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50056774 ((S)-1-((R)-3-Phenyl-2-phenylmethanesulfonylamino-p...) Show SMILES NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc2ccccc2)CC1 |wU:9.8,wD:16.25,(16.18,-5.42,;16.95,-6.75,;16.92,-8.41,;17.46,-9.87,;16.25,-10.69,;16.69,-12.16,;15.64,-13.28,;14.15,-12.93,;13.1,-14.05,;13.68,-11.46,;14.61,-10.23,;13.75,-8.97,;12.23,-9.43,;12.23,-10.97,;10.97,-11.84,;11.09,-13.38,;9.57,-11.18,;9.46,-9.66,;10.72,-8.77,;12.26,-8.77,;13,-7.44,;12.26,-6.1,;10.72,-6.1,;9.92,-7.44,;8.31,-12.07,;6.98,-12.83,;7.75,-14.19,;6.21,-11.49,;5.63,-13.61,;4.3,-12.84,;4.3,-11.3,;2.97,-10.53,;1.64,-11.3,;1.64,-12.86,;2.97,-13.61,;16.41,-9.22,;15.85,-7.85,)| Show InChI InChI=1S/C28H38N4O4S/c29-24-15-13-22(14-16-24)19-30-27(33)26-12-7-17-32(26)28(34)25(18-21-8-3-1-4-9-21)31-37(35,36)20-23-10-5-2-6-11-23/h1-6,8-11,22,24-26,31H,7,12-20,29H2,(H,30,33)/t22?,24?,25-,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against thrombin IIa				Bioorg Med Chem Lett 13: 2781-4 (2003) BindingDB Entry DOI: 10.7270/Q2GF0V2P
					More data for this Ligand-Target Pair