Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50253718'   

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))	BDBM50253718 (CHEMBL461192 | Ethyl 2-[2-(4-carbamimidoylbenzylox...) Show SMILES CCOC(=O)CN(C(=O)c1ccc2N(C)C(=O)C(OCc3ccc(cc3)C(N)=N)Oc2c1)c1ccccc1 Show InChI InChI=1S/C28H28N4O6/c1-3-36-24(33)16-32(21-7-5-4-6-8-21)26(34)20-13-14-22-23(15-20)38-28(27(35)31(22)2)37-17-18-9-11-19(12-10-18)25(29)30/h4-15,28H,3,16-17H2,1-2H3,(H3,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				J Med Chem 51: 5617-29 (2008) Article DOI: 10.1021/jm8003448 BindingDB Entry DOI: 10.7270/Q2JQ10TZ
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