Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50324757'   

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))	BDBM50324757 ((3R,4R)-N3-(4-chlorophenyl)-1-(N,N-dimethylsulfamo...) Show SMILES CN(C)S(=O)(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H25ClFN5O5S/c1-30(2)38(36,37)31-14-19(24(34)28-17-8-6-16(26)7-9-17)20(15-31)25(35)29-22-11-10-18(13-21(22)27)32-12-4-3-5-23(32)33/h3-13,19-20H,14-15H2,1-2H3,(H,28,34)(H,29,35)/t19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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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