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 = 'BDBM370223'
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM370223(US10233188, Example 110 | US10800783, Example 110)
Show SMILES CCS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(C)c(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1
Show InChI InChI=1S/C21H31N5O4S/c1-4-31(29,30)25-10-7-16(8-11-25)23-20-22-13-15-12-14(2)19(27)26(18(15)24-20)17-6-5-9-21(17,3)28/h12-13,16-17,28H,4-11H2,1-3H3,(H,22,23,24)/t17-,21-/m1/s1
Affinity DataKi:  0.100nMAssay 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
LigandPNGBDBM370223(US10233188, Example 110 | US10800783, Example 110)
Show SMILES CCS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(C)c(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1
Show InChI InChI=1S/C21H31N5O4S/c1-4-31(29,30)25-10-7-16(8-11-25)23-20-22-13-15-12-14(2)19(27)26(18(15)24-20)17-6-5-9-21(17,3)28/h12-13,16-17,28H,4-11H2,1-3H3,(H,22,23,24)/t17-,21-/m1/s1
Affinity DataKi:  0.100nMAssay 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