Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50114468'   

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))	BDBM50114468 (2-{2-[1-(1-Amino-isoquinolin-7-yloxymethyl)-2-phen...) Show SMILES Nc1nccc2ccc(OCC(Cc3ccccc3)N3Cc4cc(ccc4C3=O)-c3ccccc3S(N)(=O)=O)cc12 Show InChI InChI=1S/C32H28N4O4S/c33-31-29-18-26(12-10-22(29)14-15-35-31)40-20-25(16-21-6-2-1-3-7-21)36-19-24-17-23(11-13-28(24)32(36)37)27-8-4-5-9-30(27)41(34,38)39/h1-15,17-18,25H,16,19-20H2,(H2,33,35)(H2,34,38,39)	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	226	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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