Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50125041'   

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))	BDBM50125041 (2-((R)-3-Benzyl-2-oxo-piperazin-1-yl)-N-[(S)-4-gua...) Show SMILES NC(=N)NCCC[C@H](NC(=O)CN1CCN[C@H](Cc2ccccc2)C1=O)C(=O)c1nccs1 Show InChI InChI=1S/C22H29N7O3S/c23-22(24)27-8-4-7-16(19(31)20-26-10-12-33-20)28-18(30)14-29-11-9-25-17(21(29)32)13-15-5-2-1-3-6-15/h1-3,5-6,10,12,16-17,25H,4,7-9,11,13-14H2,(H,28,30)(H4,23,24,27)/t16-,17+/m0/s1	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	5.00E+3	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: 729-32 (2003) BindingDB Entry DOI: 10.7270/Q2T72GTS
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