Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50125006'   

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))	BDBM50125006 (2-{4-[4-(3-Chloro-2-cyano-phenoxy)-benzenesulfonyl...) Show SMILES NC(=N)NCCCC(NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1ccc(Oc2cccc(Cl)c2C#N)cc1)C(=O)c1nccs1 Show InChI InChI=1S/C28H29ClN8O6S2/c29-21-3-1-5-23(20(21)15-30)43-18-6-8-19(9-7-18)45(41,42)37-13-12-36(25(39)17-37)16-24(38)35-22(4-2-10-34-28(31)32)26(40)27-33-11-14-44-27/h1,3,5-9,11,14,22H,2,4,10,12-13,16-17H2,(H,35,38)(H4,31,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against factor Xa				Bioorg Med Chem Lett 13: 723-8 (2003) BindingDB Entry DOI: 10.7270/Q2Z037JH
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