Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50324770'   

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))	BDBM50324770 ((3R,4R)-N3-(5-chloropyridin-2-yl)-N4-(2-fluoro-4-(...) Show SMILES Fc1cc(ccc1NC(=O)[C@H]1CNC[C@@H]1C(=O)Nc1ccc(Cl)cn1)-n1ccccc1=O |r| Show InChI InChI=1S/C22H19ClFN5O3/c23-13-4-7-19(26-10-13)28-22(32)16-12-25-11-15(16)21(31)27-18-6-5-14(9-17(18)24)29-8-2-1-3-20(29)30/h1-10,15-16,25H,11-12H2,(H,27,31)(H,26,28,32)/t15-,16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 20: 5313-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.126 BindingDB Entry DOI: 10.7270/Q2542NSG
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