Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 2/G1/S-specific cyclin-E1' and Ligand = 'BDBM370152'
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM370152(US10233188, Example 40 | US10800783, Example 40)
Show SMILES C[C@H]1CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CCO)c1=O
Show InChI InChI=1S/C21H31N5O4S/c1-14-4-3-5-18(14)26-19-16(12-15(8-11-27)20(26)28)13-22-21(24-19)23-17-6-9-25(10-7-17)31(2,29)30/h12-14,17-18,27H,3-11H2,1-2H3,(H,22,23,24)/t14-,18+/m0/s1
Affinity DataKi:  0.0800nMAssay Description:The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM370152(US10233188, Example 40 | US10800783, Example 40)
Show SMILES C[C@H]1CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CCO)c1=O
Show InChI InChI=1S/C21H31N5O4S/c1-14-4-3-5-18(14)26-19-16(12-15(8-11-27)20(26)28)13-22-21(24-19)23-17-6-9-25(10-7-17)31(2,29)30/h12-14,17-18,27H,3-11H2,1-2H3,(H,22,23,24)/t14-,18+/m0/s1
Affinity DataKi:  0.0800nMAssay Description:The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid