Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50150495'   

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))	BDBM50150495 (2-(5-Carbamimidoyl-2-{4-[1-(1-imino-ethyl)-piperid...) Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(OCc2nc3cc(ccc3n2CC(=O)NC2CCCCC2)C(N)=N)cc1 Show InChI InChI=1S/C30H39N7O3/c1-20(31)36-15-13-25(14-16-36)40-24-10-8-23(9-11-24)39-19-28-35-26-17-21(30(32)33)7-12-27(26)37(28)18-29(38)34-22-5-3-2-4-6-22/h7-12,17,22,25,31H,2-6,13-16,18-19H2,1H3,(H3,32,33)(H,34,38)	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	40	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				Bioorg Med Chem Lett 14: 4281-6 (2004) Article DOI: 10.1016/j.bmcl.2004.05.092 BindingDB Entry DOI: 10.7270/Q22808C7
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