Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50114457'   

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))	BDBM50114457 (2-{2-[2-(1-Amino-isoquinolin-7-yloxy)-1-phenyl-eth...) Show SMILES Nc1nccc2ccc(OCC(N3Cc4cc(ccc4C3=O)-c3ccccc3S(N)(=O)=O)c3ccccc3)cc12 Show InChI InChI=1S/C31H26N4O4S/c32-30-27-17-24(12-10-20(27)14-15-34-30)39-19-28(21-6-2-1-3-7-21)35-18-23-16-22(11-13-26(23)31(35)36)25-8-4-5-9-29(25)40(33,37)38/h1-17,28H,18-19H2,(H2,32,34)(H2,33,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	623	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Tested in vitro for the inhibitory activity against Coagulation factor Xa				Bioorg Med Chem Lett 12: 1657-61 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q2T
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