Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 9' and Ligand = 'BDBM50466852'   

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))	BDBM50466852 (CHEMBL4294976) Show SMILES CCOc1ccccc1CNc1nc(C)nc2[nH]cc(-c3ccnc(N)c3)c12 Show InChI InChI=1S/C21H22N6O/c1-3-28-17-7-5-4-6-15(17)11-24-20-19-16(14-8-9-23-18(22)10-14)12-25-21(19)27-13(2)26-20/h4-10,12H,3,11H2,1-2H3,(H2,22,23)(H2,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human full-length N-terminal GST-fused CDK9 (1 to 372 residues) expressed in baculovirus expression system using MBP as substrate after...				J Med Chem 61: 9791-9810 (2018) Article DOI: 10.1021/acs.jmedchem.8b00185 BindingDB Entry DOI: 10.7270/Q2H41V3Q
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