BDBM12599 2,4-Diamino-5-ketopyrimidine 17::5-[(3-methoxyphenyl)carbonyl]-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine

SMILES COc1cccc(c1)C(=O)c1cnc(Nc2ccc(cc2)N2CCN(C)CC2)nc1N

InChI Key InChIKey=WOGHTJWSWWAHPL-UHFFFAOYSA-N

Data  3 KI

  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 3 hits for monomerid = 12599   

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

LigandPNGBDBM12599(2,4-Diamino-5-ketopyrimidine 17 | 5-[(3-methoxyphe...)
Affinity DataKi: >1.00E+3nMAssay 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

LigandPNGBDBM12599(2,4-Diamino-5-ketopyrimidine 17 | 5-[(3-methoxyphe...)
Affinity DataKi: >1.00E+4nMAssay 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

LigandPNGBDBM12599(2,4-Diamino-5-ketopyrimidine 17 | 5-[(3-methoxyphe...)
Affinity DataKi: >1.00E+4nM ΔG°: >-7.09kcal/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