Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50111658'   

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))	BDBM50111658 ((6S,8aS)-2-(Diphenyl-methanesulfonyl)-4-oxo-octahy...) Show SMILES Cc1cc(ccc1CNC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)S(=O)(=O)C(c1ccccc1)c1ccccc1)C(N)=N Show InChI InChI=1S/C30H33N5O4S/c1-20-16-23(29(31)32)12-13-24(20)17-33-30(37)26-15-14-25-18-34(19-27(36)35(25)26)40(38,39)28(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,16,25-26,28H,14-15,17-19H2,1H3,(H3,31,32)(H,33,37)/t25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shire BioChem. Curated by ChEMBL					Assay Description Inhibition of amidolytic activity of thrombin				Bioorg Med Chem Lett 12: 1181-4 (2002) BindingDB Entry DOI: 10.7270/Q22V2FFT
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