BDBM12611 2,4-Diamino-5-ketopyrimidine 29::2-N-(1-methanesulfonylpiperidin-4-yl)-5-[(2-methoxyphenyl)carbonyl]pyrimidine-2,4-diamine::[4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2-methoxyphenyl)methanone

SMILES COc1ccccc1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N

InChI Key InChIKey=VIIIAPSCTBJJNE-UHFFFAOYSA-N

Data  3 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 12611   

TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D1(Homo sapiens (Human))
Hoffmann-La Roche

LigandPNGBDBM12611(2,4-Diamino-5-ketopyrimidine 29 | 2-N-(1-methanesu...)
Affinity DataKi:  14nMAssay Description:Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Hoffmann-La Roche

LigandPNGBDBM12611(2,4-Diamino-5-ketopyrimidine 29 | 2-N-(1-methanesu...)
Affinity DataKi:  24nM ΔG°:  -10.8kcal/molepH: 7.0 T: 2°CAssay Description:Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase/G2/mitotic-specific cyclin- 1(Homo sapiens (Human))
Hoffmann-La Roche

LigandPNGBDBM12611(2,4-Diamino-5-ketopyrimidine 29 | 2-N-(1-methanesu...)
Affinity DataKi:  28nMAssay Description:Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D1(Homo sapiens (Human))
Hoffmann-La Roche

LigandPNGBDBM12611(2,4-Diamino-5-ketopyrimidine 29 | 2-N-(1-methanesu...)
Affinity DataIC50:  14nMAssay Description:Inhibition of CDK4/Cyclin D1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed