Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50235533'   

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))	BDBM50235533 (2-(1-(5-chloro-2-fluorophenethylamino)-4-methyl-2-...) Show SMILES Cc1ccnc(CNC(=O)Cc2c(C)ccn(NCCc3cc(Cl)ccc3F)c2=O)c1F Show InChI InChI=1S/C23H23ClF2N4O2/c1-14-7-10-30(29-9-6-16-11-17(24)3-4-19(16)25)23(32)18(14)12-21(31)28-13-20-22(26)15(2)5-8-27-20/h3-5,7-8,10-11,29H,6,9,12-13H2,1-2H3,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>4.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 18: 1972-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.122 BindingDB Entry DOI: 10.7270/Q2833SV0
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