Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50393526'   

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))	BDBM50393526 (CHEMBL2158201) Show SMILES Oc1c([C@@H]2O[C@H](COS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]2OS(O)(=O)=O)c(OS(O)(=O)=O)cc2oc3cc(OS(O)(=O)=O)c(OS(O)(=O)=O)cc3c(=O)c12 |r| Show InChI InChI=1S/C19H18O32S7/c20-14-5-1-7(46-53(25,26)27)8(47-54(28,29)30)2-6(5)44-9-3-10(48-55(31,32)33)13(15(21)12(9)14)17-19(51-58(40,41)42)18(50-57(37,38)39)16(49-56(34,35)36)11(45-17)4-43-52(22,23)24/h1-3,11,16-19,21H,4H2,(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)/t11-,16-,17+,18+,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Porto (CEQUIMED-UP) Curated by ChEMBL					Assay Description Inhibition of human factor 10a assessed as CBS 31.39 substrate hydrolysis by spectrophotometric analysis				J Med Chem 54: 5373-84 (2011) Article DOI: 10.1021/jm2006589 BindingDB Entry DOI: 10.7270/Q27P90HT
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