Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50017941'   

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 (Bos taurus)	BDBM50017941 (CHEMBL3289020) Show SMILES NC(=N)c1ccc(Oc2cc(Oc3ccc(cc3)C(N)=N)cc(c2)C(=O)NC2CCC(O)CC2)cc1 |(20.63,-.34,;19.29,.43,;19.29,1.97,;17.96,-.34,;16.63,.43,;15.29,-.34,;15.29,-1.88,;13.96,-2.65,;13.96,-4.19,;12.63,-4.96,;12.63,-6.5,;11.29,-7.27,;9.96,-6.5,;8.62,-7.27,;7.29,-6.5,;7.29,-4.96,;8.62,-4.19,;9.96,-4.96,;5.96,-4.19,;4.62,-4.96,;5.96,-2.65,;13.96,-7.27,;15.29,-6.5,;15.29,-4.96,;16.63,-7.27,;16.63,-8.81,;17.96,-6.5,;19.29,-7.27,;20.63,-6.5,;21.96,-7.27,;21.96,-8.81,;23.3,-9.58,;20.63,-9.58,;19.29,-8.81,;16.63,-2.65,;17.96,-1.88,)| Show InChI InChI=1S/C27H29N5O4/c28-25(29)16-1-9-21(10-2-16)35-23-13-18(27(34)32-19-5-7-20(33)8-6-19)14-24(15-23)36-22-11-3-17(4-12-22)26(30)31/h1-4,9-15,19-20,33H,5-8H2,(H3,28,29)(H3,30,31)(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	538	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aurigene Discovery Technologies Limited Curated by ChEMBL					Assay Description Inhibition of bovine plasma factor 10a using CH3OCO-D-CHA-Gly-Arg-pNA.AcoH substrate				Bioorg Med Chem 22: 3187-203 (2014) Article DOI: 10.1016/j.bmc.2014.04.013 BindingDB Entry DOI: 10.7270/Q2J967ZD
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