Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 9' and Ligand = 'BDBM50154932'   

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
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50154932 (CHEMBL3774632) Show SMILES CC(O)CNc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1 Show InChI InChI=1S/C23H27N7O/c1-14(2)19-20-21(30-29-19)22(28-23(27-20)26-12-15(3)31)25-13-16-7-9-17(10-8-16)18-6-4-5-11-24-18/h4-11,14-15,31H,12-13H2,1-3H3,(H,29,30)(H2,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK9 (unknown origin)				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
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