Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50272479'   

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))	BDBM50272479 ((S)-2-[(2R,3S)-3-Methyl-2-(propane-1-sulfonylamino...) Show SMILES CCCS(=O)(=O)N[C@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(cc1)C(N)=N |r| Show InChI InChI=1S/C22H36N6O5S/c1-4-12-34(32,33)28-19(14(3)5-2)22(31)27-17(10-11-18(23)29)21(30)26-13-15-6-8-16(9-7-15)20(24)25/h6-9,14,17,19,28H,4-5,10-13H2,1-3H3,(H2,23,29)(H3,24,25)(H,26,30)(H,27,31)/t14-,17-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human thrombin				Bioorg Med Chem Lett 18: 4533-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.044 BindingDB Entry DOI: 10.7270/Q29G5MN3
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