Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50157331'   

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
Coagulation factor X (Homo sapiens (Human))	BDBM50157331 (4-(2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-...) Show SMILES NC(=N)N1CCc2ccc(OCC3CCN(CC3)c3ccncc3C(O)=O)cc2C1 Show InChI InChI=1S/C22H27N5O3/c23-22(24)27-10-6-16-1-2-18(11-17(16)13-27)30-14-15-4-8-26(9-5-15)20-3-7-25-12-19(20)21(28)29/h1-3,7,11-12,15H,4-6,8-10,13-14H2,(H3,23,24)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human Coagulation factor X				J Med Chem 48: 3586-604 (2005) Article DOI: 10.1021/jm058160e BindingDB Entry DOI: 10.7270/Q2CR5V36
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