Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50126501'   

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))	BDBM50126501 (2-[1-(3,4-Dichloro-phenylsulfanylmethyl)-2-oxo-2-p...) Show SMILES Cc1nc(N)ccc1CNC(=O)C1C=CCn2n1c(=O)n(C(CSc1ccc(Cl)c(Cl)c1)C(=O)N1CCCC1)c2=O |c:14| Show InChI InChI=1S/C27H29Cl2N7O4S/c1-16-17(6-9-23(30)32-16)14-31-24(37)21-5-4-12-34-26(39)35(27(40)36(21)34)22(25(38)33-10-2-3-11-33)15-41-18-7-8-19(28)20(29)13-18/h4-9,13,21-22H,2-3,10-12,14-15H2,1H3,(H2,30,32)(H,31,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin				Bioorg Med Chem Lett 13: 1445-9 (2003) BindingDB Entry DOI: 10.7270/Q23F4P0T
					More data for this Ligand-Target Pair