Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50072852'   

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 (Bos taurus (Bovine))	BDBM50072852 (4-[3-(3-Diaminomethyl-phenyl)-2-(2,4,6-triisopropy...) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)N)C(=O)N1CCN(CC1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C37H51N5O5S/c1-24(2)30-21-31(25(3)4)34(32(22-30)26(5)6)48(45,46)40-33(20-28-13-10-14-29(19-28)35(38)39)36(43)41-15-17-42(18-16-41)37(44)47-23-27-11-8-7-9-12-27/h7-14,19,21-22,24-26,33,35,40H,15-18,20,23,38-39H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin expressed as dissociation constant				J Med Chem 41: 5445-56 (1999) Article DOI: 10.1021/jm981068g BindingDB Entry DOI: 10.7270/Q2KK99ZF
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