Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor VII' and Ligand = 'BDBM13559'   

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 VII (Homo sapiens (Human))	BDBM13559 (2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(ox...) Show SMILES CCOc1cc(OC2CCOCC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O Show InChI InChI=1S/C22H27N3O5/c1-2-29-18-11-15(12-19(13-18)30-17-7-9-28-10-8-17)20(22(26)27)25-16-5-3-14(4-6-16)21(23)24/h3-6,11-13,17,20,25H,2,7-10H2,1H3,(H3,23,24)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	140	-38.7	n/a	n/a	n/a	n/a	n/a	7.8	22
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 15: 5344-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.079 BindingDB Entry DOI: 10.7270/Q2X63K6X
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