Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50077178'   

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))	BDBM50077178 (2,6-Bis-(3-carbamimidoyl-phenoxy)-nicotinic acid |...) Show SMILES NC(=N)c1cccc(Oc2ccc(C(O)=O)c(Oc3cccc(c3)C(N)=N)n2)c1 Show InChI InChI=1S/C20H17N5O4/c21-17(22)11-3-1-5-13(9-11)28-16-8-7-15(20(26)27)19(25-16)29-14-6-2-4-12(10-14)18(23)24/h1-10H,(H3,21,22)(H3,23,24)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
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