Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50077168'   

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))	BDBM50077168 (2,6-Bis-(3-carbamimidoyl-phenoxy)-isonicotinamide ...) Show SMILES NC(=N)c1cccc(Oc2cc(cc(Oc3cccc(c3)C(N)=N)n2)C(N)=O)c1 Show InChI InChI=1S/C20H18N6O3/c21-18(22)11-3-1-5-14(7-11)28-16-9-13(20(25)27)10-17(26-16)29-15-6-2-4-12(8-15)19(23)24/h1-10H,(H3,21,22)(H3,23,24)(H2,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.00E+3	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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