Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor IX' and Ligand = 'BDBM50307277'   

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))	BDBM50307277 (CHEMBL604954 | [5-(Isopropylamino-methyl)-1,3-dime...) Show SMILES CC(C)NCc1c(NC(=O)OCC(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)c(C)nn1C Show InChI InChI=1S/C27H32N6O3S/c1-16(2)30-14-20-25(17(3)32-33(20)4)31-27(34)35-15-22(18-9-6-5-7-10-18)36-21-11-8-12-23-19(21)13-24(37-23)26(28)29/h5-13,16,22,30H,14-15H2,1-4H3,(H3,28,29)(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trigen Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant factor 9a by amidolytic assay				J Med Chem 53: 1473-82 (2010) Article DOI: 10.1021/jm901476x BindingDB Entry DOI: 10.7270/Q2P84C0N
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