Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50078547'   

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))	BDBM50078547 (3-[(3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-2-oxo-1-...) Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1ccc2C[C@H]3[C@@H]([C@@H](CCCCC(N)=N)C(=O)N3CCCCCc3ccccc3)c2c1 Show InChI InChI=1S/C38H48N4O2/c1-3-41(4-2)37(43)31-18-13-17-28(24-31)29-21-22-30-26-34-36(33(30)25-29)32(19-10-11-20-35(39)40)38(44)42(34)23-12-6-9-16-27-14-7-5-8-15-27/h5,7-8,13-15,17-18,21-22,24-25,32,34,36H,3-4,6,9-12,16,19-20,23,26H2,1-2H3,(H3,39,40)/t32-,34+,36+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of activated Coagulation factor X				Bioorg Med Chem Lett 9: 1657-62 (1999) BindingDB Entry DOI: 10.7270/Q2VT1R8Q
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