Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 9' and Ligand = 'BDBM106965'   

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))	BDBM106965 (US8592581, 16) Show SMILES CCC(Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(F)(F)F Show InChI InChI=1S/C19H24F3N7O/c1-4-13(15(30)19(20,21)22)26-18-27-16(24-9-12-6-5-7-23-8-12)14-17(28-18)29(10-25-14)11(2)3/h5-8,10-11,13,15,30H,4,9H2,1-3H3,(H2,24,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.14E+3	n/a	n/a	n/a	n/a	7.5	30
Cyclacel Limited; Cancer Research Technology Limited US Patent					Assay Description To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...				US Patent US8592581 (2013) BindingDB Entry DOI: 10.7270/Q25X27J9
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