Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor IX' and Ligand = 'BDBM50125962'   

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 IX (Homo sapiens (Human))	BDBM50125962 (CHEMBL3627869) Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@H](c2nc3cc(C)c(C)cc3[nH]2)c2ccccc2)c(Cl)c1 |r| Show InChI InChI=1S/C27H24Cl2N6O/c1-15-9-23-24(10-16(15)2)33-26(32-23)20(18-7-5-4-6-8-18)13-30-27(36)25-21(28)11-19(12-22(25)29)35-14-31-17(3)34-35/h4-12,14,20H,13H2,1-3H3,(H,30,36)(H,32,33)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human coagulation factor 9a using fluorescent peptide CH3SO2-D-CHG-Gly-Arg-AFC-AcoH as substrate				Bioorg Med Chem Lett 25: 4945-9 (2015) Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B
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