Compile Data Set for Download or QSAR
Found 35 of ic50 for UniProtKB: P11802
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50193087(CHEMBL3897452)
Show SMILES CCNCc1cncc(c1C)-c1cccc2[nH]nc(-c3nc4c(F)cc(F)cc4[nH]3)c12
Show InChI InChI=1S/C23H20F2N6/c1-3-26-9-13-10-27-11-16(12(13)2)15-5-4-6-18-20(15)22(31-30-18)23-28-19-8-14(24)7-17(25)21(19)29-23/h4-8,10-11,26H,3,9H2,1-2H3,(H,28,29)(H,30,31)
Affinity DataIC50: 1nMAssay Description:Inhibition of CDK4/cyclin E (unknown origin)More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50458033(CHEMBL4210422)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C(C)N2CCCC2)ncc1F
Show InChI InChI=1S/C30H34F2N8O/c1-17(2)40-19(4)34-28-22(31)13-21(14-25(28)40)27-23(32)15-33-30(37-27)36-26-8-7-20-16-39(12-9-24(20)35-26)29(41)18(3)38-10-5-6-11-38/h7-8,13-15,17-18H,5-6,9-12,16H2,1-4H3,(H,33,35,36,37)
Affinity DataIC50: 1nMAssay Description:Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50458026(CHEMBL4207521)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C2CCN(CC(C)(C)O)CC2)ncc1F
Show InChI InChI=1S/C32H40F2N8O/c1-19(2)42-20(3)36-30-24(33)14-22(15-27(30)42)29-25(34)16-35-31(39-29)38-28-7-6-21-17-41(13-10-26(21)37-28)23-8-11-40(12-9-23)18-32(4,5)43/h6-7,14-16,19,23,43H,8-13,17-18H2,1-5H3,(H,35,37,38,39)
Affinity DataIC50: 1.20nMAssay Description:Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50458041(CHEMBL4213744)
Show SMILES CCN1CCc2cc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
Show InChI InChI=1S/C26H28F2N6/c1-5-33-9-8-17-10-20(7-6-18(17)14-33)31-26-29-13-22(28)24(32-26)19-11-21(27)25-23(12-19)34(15(2)3)16(4)30-25/h6-7,10-13,15H,5,8-9,14H2,1-4H3,(H,29,31,32)
Affinity DataIC50: 1.40nMAssay Description:Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50458024(CHEMBL4203179)
Show SMILES CCN1CCC(CC1)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
Show InChI InChI=1S/C30H36F2N8/c1-5-38-11-8-22(9-12-38)39-13-10-25-20(17-39)6-7-27(35-25)36-30-33-16-24(32)28(37-30)21-14-23(31)29-26(15-21)40(18(2)3)19(4)34-29/h6-7,14-16,18,22H,5,8-13,17H2,1-4H3,(H,33,35,36,37)
Affinity DataIC50: 1.40nMAssay Description:Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50458044(CHEMBL4208813)
Show SMILES CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
Show InChI InChI=1S/C25H27F2N7/c1-5-33-9-8-20-16(13-33)6-7-22(30-20)31-25-28-12-19(27)23(32-25)17-10-18(26)24-21(11-17)34(14(2)3)15(4)29-24/h6-7,10-12,14H,5,8-9,13H2,1-4H3,(H,28,30,31,32)
Affinity DataIC50: 1.5nMAssay Description:Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50458049(CHEMBL4214827)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C2CCN(C)CC2)ncc1F
Show InChI InChI=1S/C29H34F2N8/c1-17(2)39-18(3)33-28-22(30)13-20(14-25(28)39)27-23(31)15-32-29(36-27)35-26-6-5-19-16-38(12-9-24(19)34-26)21-7-10-37(4)11-8-21/h5-6,13-15,17,21H,7-12,16H2,1-4H3,(H,32,34,35,36)
Affinity DataIC50: 1.5nMAssay Description:Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50458051(CHEMBL4206061 | US10988476, Compound I-23)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN2CCN(C)CC2)ncc1F
Show InChI InChI=1S/C30H35F2N9O/c1-18(2)41-19(3)34-29-22(31)13-21(14-25(29)41)28-23(32)15-33-30(37-28)36-26-6-5-20-16-40(8-7-24(20)35-26)27(42)17-39-11-9-38(4)10-12-39/h5-6,13-15,18H,7-12,16-17H2,1-4H3,(H,33,35,36,37)
Affinity DataIC50: 1.60nMAssay Description:Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50458042(CHEMBL4202644)
Show SMILES COCCN1CCC(CC1)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
Show InChI InChI=1S/C31H38F2N8O/c1-19(2)41-20(3)35-30-24(32)15-22(16-27(30)41)29-25(33)17-34-31(38-29)37-28-6-5-21-18-40(12-9-26(21)36-28)23-7-10-39(11-8-23)13-14-42-4/h5-6,15-17,19,23H,7-14,18H2,1-4H3,(H,34,36,37,38)
Affinity DataIC50: 1.80nMAssay Description:Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50458040(CHEMBL4204986)
Show SMILES CCC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CC)CCc3n2)ncc1F
Show InChI InChI=1S/C26H29F2N7/c1-5-15(3)35-16(4)30-25-19(27)11-18(12-22(25)35)24-20(28)13-29-26(33-24)32-23-8-7-17-14-34(6-2)10-9-21(17)31-23/h7-8,11-13,15H,5-6,9-10,14H2,1-4H3,(H,29,31,32,33)
Affinity DataIC50: 2nMAssay Description:Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50110183(Abemaciclib | LY-2835219 | US10662186, Compound LY...)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
Affinity DataIC50: 2nMAssay Description:Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assayMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50458047(CHEMBL4212540)
Show SMILES CC(O)CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
Show InChI InChI=1S/C26H29F2N7O/c1-14(2)35-16(4)30-25-19(27)9-18(10-22(25)35)24-20(28)11-29-26(33-24)32-23-6-5-17-13-34(12-15(3)36)8-7-21(17)31-23/h5-6,9-11,14-15,36H,7-8,12-13H2,1-4H3,(H,29,31,32,33)
Affinity DataIC50: 2.10nMAssay Description:Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50458043(CHEMBL4210299)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C2CCN(CC3CC3)CC2)ncc1F
Show InChI InChI=1S/C32H38F2N8/c1-19(2)42-20(3)36-31-25(33)14-23(15-28(31)42)30-26(34)16-35-32(39-30)38-29-7-6-22-18-41(13-10-27(22)37-29)24-8-11-40(12-9-24)17-21-4-5-21/h6-7,14-16,19,21,24H,4-5,8-13,17-18H2,1-3H3,(H,35,37,38,39)
Affinity DataIC50: 2.10nMAssay Description:Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50458034(CHEMBL4212532 | US10662186, Compound 5 | US1098847...)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN(C)C)ncc1F
Show InChI InChI=1S/C27H30F2N8O/c1-15(2)37-16(3)31-26-19(28)10-18(11-22(26)37)25-20(29)12-30-27(34-25)33-23-7-6-17-13-36(9-8-21(17)32-23)24(38)14-35(4)5/h6-7,10-12,15H,8-9,13-14H2,1-5H3,(H,30,32,33,34)
Affinity DataIC50: 2.20nMAssay Description:Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50458032(CHEMBL4205132)
Show SMILES CC(C)N1CCC(CC1)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
Show InChI InChI=1S/C31H38F2N8/c1-18(2)39-11-8-23(9-12-39)40-13-10-26-21(17-40)6-7-28(36-26)37-31-34-16-25(33)29(38-31)22-14-24(32)30-27(15-22)41(19(3)4)20(5)35-30/h6-7,14-16,18-19,23H,8-13,17H2,1-5H3,(H,34,36,37,38)
Affinity DataIC50: 2.30nMAssay Description:Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50458048(CHEMBL4210944)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C2CCN(C)CC2)ncc1F
Show InChI InChI=1S/C30H34F2N8O/c1-17(2)40-18(3)34-28-22(31)13-21(14-25(28)40)27-23(32)15-33-30(37-27)36-26-6-5-20-16-39(12-9-24(20)35-26)29(41)19-7-10-38(4)11-8-19/h5-6,13-15,17,19H,7-12,16H2,1-4H3,(H,33,35,36,37)
Affinity DataIC50: 2.5nMAssay Description:Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50464606(CHEMBL4277900 | US11091476, Example 17)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc3c(N=C(C)C33CCCC3)c(F)c2)nc1
Show InChI InChI=1S/C28H30F2N6/c1-17-28(9-3-4-10-28)21-13-20(14-22(29)26(21)33-17)25-23(30)16-32-27(35-25)34-24-6-5-19(15-31-24)18-7-11-36(2)12-8-18/h5-6,13-16,18H,3-4,7-12H2,1-2H3,(H,31,32,34,35)
Affinity DataIC50: 2.62nMAssay Description: 1.2.2 Preparation of kinase solution: Kinase solutions having the concentrations required for each reaction system were prepared from 100 ng/...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50458025(CHEMBL4216664)
Show SMILES CCN1CCc2nc(Nc3cc(c(F)cn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
Show InChI InChI=1S/C26H28F2N6/c1-5-33-9-8-22-17(14-33)6-7-24(31-22)32-25-12-19(21(28)13-29-25)18-10-20(27)26-23(11-18)34(15(2)3)16(4)30-26/h6-7,10-13,15H,5,8-9,14H2,1-4H3,(H,29,31,32)
Affinity DataIC50: 2.80nMAssay Description:Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50458027(CHEMBL4213778)
Show SMILES CCN1CCC(CN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(C(C)C)c5c4)ccc3C2)CC1
Show InChI InChI=1S/C31H38F2N8/c1-5-39-11-8-21(9-12-39)17-40-13-10-26-22(18-40)6-7-28(36-26)37-31-34-16-25(33)29(38-31)23-14-24(32)30-27(15-23)41(19(2)3)20(4)35-30/h6-7,14-16,19,21H,5,8-13,17-18H2,1-4H3,(H,34,36,37,38)
Affinity DataIC50: 3.10nMAssay Description:Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50458046(CHEMBL4213756 | US10662186, Compound comparative C...)
Show SMILES COCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
Show InChI InChI=1S/C26H29F2N7O/c1-15(2)35-16(3)30-25-19(27)11-18(12-22(25)35)24-20(28)13-29-26(33-24)32-23-6-5-17-14-34(9-10-36-4)8-7-21(17)31-23/h5-6,11-13,15H,7-10,14H2,1-4H3,(H,29,31,32,33)
Affinity DataIC50: 3.20nMAssay Description:Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50458035(CHEMBL4213219 | US10662186, Compound comparative B...)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CO)ncc1F
Show InChI InChI=1S/C25H25F2N7O2/c1-13(2)34-14(3)29-24-17(26)8-16(9-20(24)34)23-18(27)10-28-25(32-23)31-21-5-4-15-11-33(22(36)12-35)7-6-19(15)30-21/h4-5,8-10,13,35H,6-7,11-12H2,1-3H3,(H,28,30,31,32)
Affinity DataIC50: 3.60nMAssay Description:Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50458028(CHEMBL4202467)
Show SMILES CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(CC5CC5)c4c3)ccc2C1
Show InChI InChI=1S/C26H27F2N7/c1-3-34-9-8-21-17(14-34)6-7-23(31-21)32-26-29-12-20(28)24(33-26)18-10-19(27)25-22(11-18)35(15(2)30-25)13-16-4-5-16/h6-7,10-12,16H,3-5,8-9,13-14H2,1-2H3,(H,29,31,32,33)
Affinity DataIC50: 3.80nMAssay Description:Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50464613(CHEMBL4288165 | US11091476, Example 12)
Show SMILES CCN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc3c(N=C(C)C33CCCC3)c(F)c2)nc1
Show InChI InChI=1S/C29H32F2N6/c1-3-37-12-8-19(9-13-37)20-6-7-25(32-16-20)35-28-33-17-24(31)26(36-28)21-14-22-27(23(30)15-21)34-18(2)29(22)10-4-5-11-29/h6-7,14-17,19H,3-5,8-13H2,1-2H3,(H,32,33,35,36)
Affinity DataIC50: 4.46nMAssay Description: 1.2.2 Preparation of kinase solution: Kinase solutions having the concentrations required for each reaction system were prepared from 100 ng/...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50458030(CHEMBL4218588)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C(C)O)ncc1F
Show InChI InChI=1S/C26H27F2N7O2/c1-13(2)35-15(4)30-24-18(27)9-17(10-21(24)35)23-19(28)11-29-26(33-23)32-22-6-5-16-12-34(25(37)14(3)36)8-7-20(16)31-22/h5-6,9-11,13-14,36H,7-8,12H2,1-4H3,(H,29,31,32,33)
Affinity DataIC50: 5.20nMAssay Description:Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50458039(CHEMBL4214156)
Show SMILES CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(CC(C)C)c4c3)ccc2C1
Show InChI InChI=1S/C26H29F2N7/c1-5-34-9-8-21-17(14-34)6-7-23(31-21)32-26-29-12-20(28)24(33-26)18-10-19(27)25-22(11-18)35(13-15(2)3)16(4)30-25/h6-7,10-12,15H,5,8-9,13-14H2,1-4H3,(H,29,31,32,33)
Affinity DataIC50: 6.40nMAssay Description:Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50458045(CHEMBL4217628)
Show SMILES CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCC5)c4c3)ccc2C1
Show InChI InChI=1S/C27H29F2N7/c1-3-35-11-10-22-17(15-35)8-9-24(32-22)33-27-30-14-21(29)25(34-27)18-12-20(28)26-23(13-18)36(16(2)31-26)19-6-4-5-7-19/h8-9,12-14,19H,3-7,10-11,15H2,1-2H3,(H,30,32,33,34)
Affinity DataIC50: 6.70nMAssay Description:Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50458038(CHEMBL4205920)
Show SMILES CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCC5)c4c3)ccc2C1
Show InChI InChI=1S/C26H27F2N7/c1-3-34-10-9-21-16(14-34)7-8-23(31-21)32-26-29-13-20(28)24(33-26)17-11-19(27)25-22(12-17)35(15(2)30-25)18-5-4-6-18/h7-8,11-13,18H,3-6,9-10,14H2,1-2H3,(H,29,31,32,33)
Affinity DataIC50: 7.80nMAssay Description:Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50458031(CHEMBL4209352)
Show SMILES CCN1CCc2nc(Nc3cc(ncn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
Show InChI InChI=1S/C25H28FN7/c1-5-32-9-8-20-17(13-32)6-7-23(30-20)31-24-12-21(27-14-28-24)18-10-19(26)25-22(11-18)33(15(2)3)16(4)29-25/h6-7,10-12,14-15H,5,8-9,13H2,1-4H3,(H,27,28,30,31)
Affinity DataIC50: 8.40nMAssay Description:Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50458050(CHEMBL4203758)
Show SMILES CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCCC5)c4c3)ccc2C1
Show InChI InChI=1S/C28H31F2N7/c1-3-36-12-11-23-18(16-36)9-10-25(33-23)34-28-31-15-22(30)26(35-28)19-13-21(29)27-24(14-19)37(17(2)32-27)20-7-5-4-6-8-20/h9-10,13-15,20H,3-8,11-12,16H2,1-2H3,(H,31,33,34,35)
Affinity DataIC50: 8.40nMAssay Description:Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50458029(CHEMBL4204483)
Show SMILES CCN1CCc2nc(Nc3cc(ccn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
Show InChI InChI=1S/C26H29FN6/c1-5-32-11-9-22-19(15-32)6-7-24(30-22)31-25-14-18(8-10-28-25)20-12-21(27)26-23(13-20)33(16(2)3)17(4)29-26/h6-8,10,12-14,16H,5,9,11,15H2,1-4H3,(H,28,30,31)
Affinity DataIC50: 9.80nMAssay Description:Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50458036(CHEMBL4207796 | US10662186, Compound comparative F...)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCF)CCc3n2)ncc1F
Show InChI InChI=1S/C25H26F3N7/c1-14(2)35-15(3)30-24-18(27)10-17(11-21(24)35)23-19(28)12-29-25(33-23)32-22-5-4-16-13-34(9-7-26)8-6-20(16)31-22/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,29,31,32,33)
Affinity DataIC50: 10nMAssay Description:Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50110183(Abemaciclib | LY-2835219 | US10662186, Compound LY...)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
Affinity DataIC50: 14.8nMAssay Description: 1.2.2 Preparation of kinase solution: Kinase solutions having the concentrations required for each reaction system were prepared from 100 ng/...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50458037(CHEMBL4210282)
Show SMILES CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCOC5)c4c3)ccc2C1
Show InChI InChI=1S/C26H27F2N7O/c1-3-34-8-6-21-16(13-34)4-5-23(31-21)32-26-29-12-20(28)24(33-26)17-10-19(27)25-22(11-17)35(15(2)30-25)18-7-9-36-14-18/h4-5,10-12,18H,3,6-9,13-14H2,1-2H3,(H,29,31,32,33)
Affinity DataIC50: 17nMAssay Description:Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50464614(CHEMBL4277525 | US11091476, Example 6)
Show SMILES CC1=Nc2c(cc(cc2F)-c2nc(Nc3ccc(cn3)N3CCNCC3)ncc2F)C11CCCC1
Show InChI InChI=1S/C26H27F2N7/c1-16-26(6-2-3-7-26)19-12-17(13-20(27)24(19)32-16)23-21(28)15-31-25(34-23)33-22-5-4-18(14-30-22)35-10-8-29-9-11-35/h4-5,12-15,29H,2-3,6-11H2,1H3,(H,30,31,33,34)
Affinity DataIC50: 80.9nMAssay Description: 1.2.2 Preparation of kinase solution: Kinase solutions having the concentrations required for each reaction system were prepared from 100 ng/...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM106950(US8592581, 1)
Show SMILES CC[C@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C21H31N7O/c1-7-17(15(6)29)25-21-26-19(18-20(27-21)28(11-24-18)12(2)3)23-10-16-9-22-14(5)8-13(16)4/h8-9,11-12,15,17,29H,7,10H2,1-6H3,(H2,23,25,26,27)/t15-,17+/m1/s1
Affinity DataIC50: 232nMAssay Description:Inhibition of CDK4/cyclin E (unknown origin)More data for this Ligand-Target Pair