Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor X/antithrombin III' and Ligand = 'BDBM50124861'   

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/antithrombin III (Homo sapiens (human))	BDBM50124861 (2-[2,4-bis(sulfonatooxy)phenyl]-4-oxo-3,5-bis(sulf...) Show SMILES [O-]S(=O)(=O)Oc1ccc(c(OS([O-])(=O)=O)c1)-c1oc2cc(OS([O-])(=O)=O)cc(OS([O-])(=O)=O)c2c(=O)c1OS([O-])(=O)=O Show InChI InChI=1S/C15H10O22S5/c16-13-12-10(4-7(34-39(20,21)22)5-11(12)36-41(26,27)28)32-14(15(13)37-42(29,30)31)8-2-1-6(33-38(17,18)19)3-9(8)35-40(23,24)25/h1-5H,(H,17,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28)(H,29,30,31)/p-5	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Equilibrium dissociation constant of factor Xa inhibition				Citation and Details
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