Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 9' and Ligand = 'BDBM106954'   

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))	BDBM106954 (US8592581, 5) Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(CC3CC3)c2n1)[C@@H](C)O |r| Show InChI InChI=1S/C20H27N7O/c1-3-16(13(2)28)24-20-25-18(22-10-15-5-4-8-21-9-15)17-19(26-20)27(12-23-17)11-14-6-7-14/h4-5,8-9,12-14,16,28H,3,6-7,10-11H2,1-2H3,(H2,22,24,25,26)/t13-,16+/m1/s1	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	7.89E+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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