Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C]' and Ligand = 'BDBM6308'   

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 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6308 (6-Acetyl-8-cyclopentyl-5-methyl-2-(pyridin-2-ylami...) Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccccn3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C20H21N5O2/c1-12-15-11-22-20(23-16-9-5-6-10-21-16)24-18(15)25(14-7-3-4-8-14)19(27)17(12)13(2)26/h5-6,9-11,14H,3-4,7-8H2,1-2H3,(H,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...				J Med Chem 48: 2388-406 (2005) Article DOI: 10.1021/jm049354h BindingDB Entry DOI: 10.7270/Q21J97Z9
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