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' and Ligand = 'BDBM12602'   

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 (Homo sapiens (Human))	BDBM12602 (2,4-Diamino-5-ketopyrimidine 20 | 2-N-[4-(4-methyl...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C(=O)c3ccccc3C(F)(F)F)c(N)n2)cc1 Show InChI InChI=1S/C23H23F3N6O/c1-31-10-12-32(13-11-31)16-8-6-15(7-9-16)29-22-28-14-18(21(27)30-22)20(33)17-4-2-3-5-19(17)23(24,25)26/h2-9,14H,10-13H2,1H3,(H3,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	821	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc.					Assay Description Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv...				J Med Chem 49: 6549-60 (2006) Article DOI: 10.1021/jm0606138 BindingDB Entry DOI: 10.7270/Q2QR4VB2
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