Compile Data Set for Download or QSAR
Found 284 of ic50 for UniProtKB: P11802
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM444543(US10662186, Compound 63 | US10988476, Compound I-6...)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
Show InChI InChI=1S/C27H32F2N8/c1-16(2)37-17(3)31-26-20(28)12-19(13-23(26)37)25-21(29)14-30-27(34-25)33-24-7-6-18-15-36(11-10-35(4)5)9-8-22(18)32-24/h6-7,12-14,16H,8-11,15H2,1-5H3,(H,30,32,33,34)
Affinity DataIC50: 0.710nMAssay Description:Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50564275(CHEMBL4778367)
Show SMILES CC(C)c1cn2c(n1)c(C(C)=O)c(C)c1cnc(Nc3ccc(cc3)N3CCNCC3)nc21
Show InChI InChI=1S/C25H29N7O/c1-15(2)21-14-32-23-20(16(3)22(17(4)33)24(32)29-21)13-27-25(30-23)28-18-5-7-19(8-6-18)31-11-9-26-10-12-31/h5-8,13-15,26H,9-12H2,1-4H3,(H,27,28,30)
Affinity DataIC50: 0.800nMAssay Description:Inhibition of recombinant human full-length N-terminal GST-fused CDK4 (1 to 303 residues)/GST-tagged CyclinD3 (1 to 292 residues) expressed in baculo...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM444567(US10662186, Compound 86 | US10988476, Compound I-8...)
Show SMILES CC(C1CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
Show InChI InChI=1S/C29H34F2N8/c1-17(19-5-6-19)39-18(2)33-28-22(30)13-21(14-25(28)39)27-23(31)15-32-29(36-27)35-26-8-7-20-16-38(12-11-37(3)4)10-9-24(20)34-26/h7-8,13-15,17,19H,5-6,9-12,16H2,1-4H3,(H,32,34,35,36)
Affinity DataIC50: 0.960nMAssay Description:Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM444572(US10662186, Compound 91 | US10988476, Compound I-9...)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C(N)=N)CCc3n2)ncc1F
Show InChI InChI=1S/C27H32F2N10/c1-15(2)39-16(3)33-25-19(28)11-18(12-22(25)39)24-20(29)13-32-27(36-24)35-23-6-5-17-14-38(8-7-21(17)34-23)10-9-37(4)26(30)31/h5-6,11-13,15H,7-10,14H2,1-4H3,(H3,30,31)(H,32,34,35,36)
Affinity DataIC50: 0.990nMAssay Description:Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM444580(US10662186, Compound 102 | US10988476, Compound I-...)
Show SMILES CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCCC5)c4c3)ccc2C1
Show InChI InChI=1S/C30H36F2N8/c1-19-34-29-23(31)15-21(16-26(29)40(19)22-7-5-4-6-8-22)28-24(32)17-33-30(37-28)36-27-10-9-20-18-39(14-13-38(2)3)12-11-25(20)35-27/h9-10,15-17,22H,4-8,11-14,18H2,1-3H3,(H,33,35,36,37)
Affinity DataIC50: 1nMAssay Description:Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM444578(US10662186, Compound 98)
Show SMILES CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCC5)c4c3)ccc2C1
Show InChI InChI=1S/C29H34F2N8/c1-18-33-28-22(30)14-20(15-25(28)39(18)21-6-4-5-7-21)27-23(31)16-32-29(36-27)35-26-9-8-19-17-38(13-12-37(2)3)11-10-24(19)34-26/h8-9,14-16,21H,4-7,10-13,17H2,1-3H3,(H,32,34,35,36)
Affinity DataIC50: 1nMAssay Description:Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM444564(US10662186, Compound 83 | US10988476, Compound I-8...)
Show SMILES CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
Show InChI InChI=1S/C29H36F2N8/c1-6-21(7-2)39-18(3)33-28-22(30)14-20(15-25(28)39)27-23(31)16-32-29(36-27)35-26-9-8-19-17-38(13-12-37(4)5)11-10-24(19)34-26/h8-9,14-16,21H,6-7,10-13,17H2,1-5H3,(H,32,34,35,36)
Affinity DataIC50: 1.10nMAssay Description:Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM444551(US10662186, Compound 71 | US10988476, Compound I-7...)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)CC#C)CCc3n2)ncc1F
Show InChI InChI=1S/C29H32F2N8/c1-6-10-37(5)12-13-38-11-9-24-20(17-38)7-8-26(34-24)35-29-32-16-23(31)27(36-29)21-14-22(30)28-25(15-21)39(18(2)3)19(4)33-28/h1,7-8,14-16,18H,9-13,17H2,2-5H3,(H,32,34,35,36)
Affinity DataIC50: 1.30nMAssay Description:Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM444598(US10662186, Compound 134 | US10988476, Compound I-...)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)CC[Si](C)(C)C)CCc3n2)ncc1F
Show InChI InChI=1S/C31H42F2N8Si/c1-20(2)41-21(3)35-30-24(32)16-23(17-27(30)41)29-25(33)18-34-31(38-29)37-28-9-8-22-19-40(11-10-26(22)36-28)13-12-39(4)14-15-42(5,6)7/h8-9,16-18,20H,10-15,19H2,1-7H3,(H,34,36,37,38)
Affinity DataIC50: 1.40nMAssay Description:Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM444597(US10662186, Compound 133 | US10988476, Compound I-...)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)CCNC(N)=N)CCc3n2)ncc1F
Show InChI InChI=1S/C29H37F2N11/c1-17(2)42-18(3)36-27-21(30)13-20(14-24(27)42)26-22(31)15-35-29(39-26)38-25-6-5-19-16-41(9-7-23(19)37-25)12-11-40(4)10-8-34-28(32)33/h5-6,13-15,17H,7-12,16H2,1-4H3,(H4,32,33,34)(H,35,37,38,39)
Affinity DataIC50: 1.5nMAssay Description:Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM444549(US10662186, Compound 69 | US10988476, Compound I-6...)
Show SMILES CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
Show InChI InChI=1S/C28H34F2N8/c1-17-32-26-20(29)13-19(14-23(26)38(17)28(2,3)4)25-21(30)15-31-27(35-25)34-24-8-7-18-16-37(12-11-36(5)6)10-9-22(18)33-24/h7-8,13-15H,9-12,16H2,1-6H3,(H,31,33,34,35)
Affinity DataIC50: 1.60nMAssay Description:Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM444585(US10662186, Compound 108 | US10988476, Compound I-...)
Show SMILES C[C@H]1CC[C@@H](CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
Show InChI InChI=1S/C31H38F2N8/c1-19-5-8-23(9-6-19)41-20(2)35-30-24(32)15-22(16-27(30)41)29-25(33)17-34-31(38-29)37-28-10-7-21-18-40(14-13-39(3)4)12-11-26(21)36-28/h7,10,15-17,19,23H,5-6,8-9,11-14,18H2,1-4H3,(H,34,36,37,38)/t19-,23-
Affinity DataIC50: 1.60nMAssay Description:Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM444591(US10662186, Compound 126 | US10988476, Compound I-...)
Show SMILES CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(CC5CC5)c4c3)ccc2C1
Show InChI InChI=1S/C28H32F2N8/c1-17-32-27-21(29)12-20(13-24(27)38(17)15-18-4-5-18)26-22(30)14-31-28(35-26)34-25-7-6-19-16-37(11-10-36(2)3)9-8-23(19)33-25/h6-7,12-14,18H,4-5,8-11,15-16H2,1-3H3,(H,31,33,34,35)
Affinity DataIC50: 1.60nMAssay Description:Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM444584(US10662186, Compound 107 | US10988476, Compound I-...)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)P(C)(C)=O)CCc3n2)ncc1F
Show InChI InChI=1S/C28H35F2N8OP/c1-17(2)38-18(3)32-27-21(29)13-20(14-24(27)38)26-22(30)15-31-28(35-26)34-25-8-7-19-16-37(10-9-23(19)33-25)12-11-36(4)40(5,6)39/h7-8,13-15,17H,9-12,16H2,1-6H3,(H,31,33,34,35)
Affinity DataIC50: 1.60nMAssay Description:Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM516028(US11053238, Compound 1a | US11053238, Compound 1b)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCCC5(CC5)n4c3c2)nc1
Show InChI InChI=1S/C27H28F2N8/c1-35-9-11-36(12-10-35)18-4-5-22(30-15-18)32-26-31-16-20(29)24(34-26)17-13-19(28)25-21(14-17)37-23(33-25)3-2-6-27(37)7-8-27/h4-5,13-16H,2-3,6-12H2,1H3,(H,30,31,32,34)
Affinity DataIC50: 1.70nMAssay Description:To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

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: 1.80nMAssay Description:Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

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: 1.80nMAssay Description:Inhibition of recombinant human full-length N-terminal GST-fused CDK4 (1 to 303 residues)/GST-tagged CyclinD3 (1 to 292 residues) expressed in baculo...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM444569(US10662186, Compound 88 | US10988476, Compound I-8...)
Show SMILES CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C3(C)CC3)ccc2C1
Show InChI InChI=1S/C28H32F2N8/c1-17-32-26-20(29)13-19(14-23(26)38(17)28(2)8-9-28)25-21(30)15-31-27(35-25)34-24-6-5-18-16-37(12-11-36(3)4)10-7-22(18)33-24/h5-6,13-15H,7-12,16H2,1-4H3,(H,31,33,34,35)
Affinity DataIC50: 1.80nMAssay Description:Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM516275(US11053238, Compound 15b)
Show SMILES C[C@H]1COCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F
Show InChI InChI=1S/C25H26F2N8O/c1-15-13-36-14-22-31-24-18(26)9-16(10-20(24)35(15)22)23-19(27)12-29-25(32-23)30-21-4-3-17(11-28-21)34-7-5-33(2)6-8-34/h3-4,9-12,15H,5-8,13-14H2,1-2H3,(H,28,29,30,32)/t15-/m0/s1
Affinity DataIC50: 1.80nMAssay Description:To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM516039(US11053238, Compound 2a | US11053238, Compound 2b)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCCCn4c3c2)nc1
Show InChI InChI=1S/C25H26F2N8/c1-33-8-10-34(11-9-33)17-5-6-21(28-14-17)30-25-29-15-19(27)23(32-25)16-12-18(26)24-20(13-16)35-7-3-2-4-22(35)31-24/h5-6,12-15H,2-4,7-11H2,1H3,(H,28,29,30,32)
Affinity DataIC50: 1.90nMAssay Description:To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM444532(US10662186, Compound 52 | US10988476, Compound I-5...)
Show SMILES CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
Show InChI InChI=1S/C27H30F2N8/c1-16-31-26-20(28)12-18(13-23(26)37(16)19-5-6-19)25-21(29)14-30-27(34-25)33-24-7-4-17-15-36(11-10-35(2)3)9-8-22(17)32-24/h4,7,12-14,19H,5-6,8-11,15H2,1-3H3,(H,30,32,33,34)
Affinity DataIC50: 1.90nMAssay Description:Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50564275(CHEMBL4778367)
Show SMILES CC(C)c1cn2c(n1)c(C(C)=O)c(C)c1cnc(Nc3ccc(cc3)N3CCNCC3)nc21
Show InChI InChI=1S/C25H29N7O/c1-15(2)21-14-32-23-20(16(3)22(17(4)33)24(32)29-21)13-27-25(30-23)28-18-5-7-19(8-6-18)31-11-9-26-10-12-31/h5-8,13-15,26H,9-12H2,1-4H3,(H,27,28,30)
Affinity DataIC50: 2nMAssay Description:Inhibition of human full-length N-terminal GST tagged CDK6 (1 to 326 residues)/GST-tagged cyclinD3 (1 to 292 residues) expressed in baculovirus expre...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM444587(US10662186, Compound 110 | US10988476, Compound I-...)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C(N)=S)CCc3n2)ncc1F
Show InChI InChI=1S/C27H31F2N9S/c1-15(2)38-16(3)32-25-19(28)11-18(12-22(25)38)24-20(29)13-31-27(35-24)34-23-6-5-17-14-37(8-7-21(17)33-23)10-9-36(4)26(30)39/h5-6,11-13,15H,7-10,14H2,1-4H3,(H2,30,39)(H,31,33,34,35)
Affinity DataIC50: 2nMAssay Description:Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

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:To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM515904(4-(6-fluoro-1- methyl-1,2,3,4- tetrahydrobenzo[4,5...)
Show SMILES CC1CCCc2nc3c(F)cc(cc3n12)-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1
Show InChI InChI=1S/C26H29FN8/c1-17-4-3-5-24-32-25-20(27)14-18(15-22(25)35(17)24)21-8-9-28-26(30-21)31-23-7-6-19(16-29-23)34-12-10-33(2)11-13-34/h6-9,14-17H,3-5,10-13H2,1-2H3,(H,28,29,30,31)
Affinity DataIC50: 2nMAssay Description:To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM515905(N-(5-((4-ethylpiperazin- 1-yl)methyl) pyridin-2-yl...)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCC(C)n5c4c3)nc2)CC1
Show InChI InChI=1S/C28H32F2N8/c1-3-36-9-11-37(12-10-36)17-19-7-8-24(31-15-19)33-28-32-16-22(30)26(35-28)20-13-21(29)27-23(14-20)38-18(2)5-4-6-25(38)34-27/h7-8,13-16,18H,3-6,9-12,17H2,1-2H3,(H,31,32,33,35)
Affinity DataIC50: 2nMAssay Description:To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM515904(4-(6-fluoro-1- methyl-1,2,3,4- tetrahydrobenzo[4,5...)
Show SMILES CC1CCCc2nc3c(F)cc(cc3n12)-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1
Show InChI InChI=1S/C26H29FN8/c1-17-4-3-5-24-32-25-20(27)14-18(15-22(25)35(17)24)21-8-9-28-26(30-21)31-23-7-6-19(16-29-23)34-12-10-33(2)11-13-34/h6-9,14-17H,3-5,10-13H2,1-2H3,(H,28,29,30,31)
Affinity DataIC50: 2nMAssay Description:To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

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:To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50564295(CHEMBL4792101)
Show SMILES CC(C)c1cn2c(n1)c(C(C)=O)c(C)c1cnc(Nc3ccc(CN4CCNCC4)cn3)nc21
Show InChI InChI=1S/C25H30N8O/c1-15(2)20-14-33-23-19(16(3)22(17(4)34)24(33)29-20)12-28-25(31-23)30-21-6-5-18(11-27-21)13-32-9-7-26-8-10-32/h5-6,11-12,14-15,26H,7-10,13H2,1-4H3,(H,27,28,30,31)
Affinity DataIC50: 2.20nMAssay Description:Inhibition of recombinant human full-length N-terminal GST-fused CDK4 (1 to 303 residues)/GST-tagged CyclinD3 (1 to 292 residues) expressed in baculo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM444604(US10662186, Compound 140 | US10988476, Compound I-...)
Show SMILES CCn1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
Show InChI InChI=1S/C26H30F2N8/c1-5-36-16(2)30-25-19(27)12-18(13-22(25)36)24-20(28)14-29-26(33-24)32-23-7-6-17-15-35(11-10-34(3)4)9-8-21(17)31-23/h6-7,12-14H,5,8-11,15H2,1-4H3,(H,29,31,32,33)
Affinity DataIC50: 2.40nMAssay Description:Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50564295(CHEMBL4792101)
Show SMILES CC(C)c1cn2c(n1)c(C(C)=O)c(C)c1cnc(Nc3ccc(CN4CCNCC4)cn3)nc21
Show InChI InChI=1S/C25H30N8O/c1-15(2)20-14-33-23-19(16(3)22(17(4)34)24(33)29-20)12-28-25(31-23)30-21-6-5-18(11-27-21)13-32-9-7-26-8-10-32/h5-6,11-12,14-15,26H,7-10,13H2,1-4H3,(H,27,28,30,31)
Affinity DataIC50: 2.5nMAssay Description:Inhibition of human full-length N-terminal GST tagged CDK6 (1 to 326 residues)/GST-tagged cyclinD3 (1 to 292 residues) expressed in baculovirus expre...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50564276(CHEMBL4776781)
Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n2cc(nc12)C(C)(C)C
Show InChI InChI=1S/C26H31N7O/c1-16-20-14-28-25(29-18-6-8-19(9-7-18)32-12-10-27-11-13-32)31-23(20)33-15-21(26(3,4)5)30-24(33)22(16)17(2)34/h6-9,14-15,27H,10-13H2,1-5H3,(H,28,29,31)
Affinity DataIC50: 2.70nMAssay Description:Inhibition of recombinant human full-length N-terminal GST-fused CDK4 (1 to 303 residues)/GST-tagged CyclinD3 (1 to 292 residues) expressed in baculo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50564297(CHEMBL4794123)
Show SMILES CNCCN1CCc2nc(Nc3ncc4c(C)c(C(C)=O)c5nc(cn5c4n3)C(C)C)ccc2C1
Show InChI InChI=1S/C26H32N8O/c1-15(2)21-14-34-24-19(16(3)23(17(4)35)25(34)30-21)12-28-26(32-24)31-22-7-6-18-13-33(11-9-27-5)10-8-20(18)29-22/h6-7,12,14-15,27H,8-11,13H2,1-5H3,(H,28,29,31,32)
Affinity DataIC50: 2.70nMAssay Description:Inhibition of recombinant human full-length N-terminal GST-fused CDK4 (1 to 303 residues)/GST-tagged CyclinD3 (1 to 292 residues) expressed in baculo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM2579((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
Affinity DataIC50: 2.80nMAssay Description:Inhibition of human CDK4/cyclin-D3 using RB-CTF as substrate by [gamma-33P]-ATP assayMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM31539(pyrazolo[4,3-h]quinazoline-3-carboxamide, 22)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1
Show InChI InChI=1S/C22H26N8O/c1-28-9-11-30(12-10-28)16-6-4-15(5-7-16)25-22-24-13-14-3-8-17-19(21(23)31)27-29(2)20(17)18(14)26-22/h4-7,13H,3,8-12H2,1-2H3,(H2,23,31)(H,24,25,26)
Affinity DataIC50: 3nMAssay Description:Inhibition of CDK4/Cyclin D3 (unknown origin) using FAM-labeled peptide as substrate after 40 minsMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM516028(US11053238, Compound 1a | US11053238, Compound 1b)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCCC5(CC5)n4c3c2)nc1
Show InChI InChI=1S/C27H28F2N8/c1-35-9-11-36(12-10-35)18-4-5-22(30-15-18)32-26-31-16-20(29)24(34-26)17-13-19(28)25-21(14-17)37-23(33-25)3-2-6-27(37)7-8-27/h4-5,13-16H,2-3,6-12H2,1H3,(H,30,31,32,34)
Affinity DataIC50: 3nMAssay Description:To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM515951(US11053238, Com. EX. 5)
Show SMILES CC1(C)CCCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCN(CC2)C2COC2)ncc1F
Show InChI InChI=1S/C29H32F2N8O/c1-29(2)7-3-4-25-35-27-21(30)12-18(13-23(27)39(25)29)26-22(31)15-33-28(36-26)34-24-6-5-19(14-32-24)37-8-10-38(11-9-37)20-16-40-17-20/h5-6,12-15,20H,3-4,7-11,16-17H2,1-2H3,(H,32,33,34,36)
Affinity DataIC50: 3nMAssay Description:To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM515923(US11053238, Compound 16b | US11053238, Example 16b)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5COC[C@H](C)n5c4c3)nc2)CC1
Show InChI InChI=1S/C27H30F2N8O/c1-3-35-6-8-36(9-7-35)14-18-4-5-23(30-12-18)32-27-31-13-21(29)25(34-27)19-10-20(28)26-22(11-19)37-17(2)15-38-16-24(37)33-26/h4-5,10-13,17H,3,6-9,14-16H2,1-2H3,(H,30,31,32,34)/t17-/m0/s1
Affinity DataIC50: 3nMAssay Description:To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50502337(CHEMBL4593340)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C(\C)=N\O)CCc3n2)ncc1F
Show InChI InChI=1S/C28H33F2N9O/c1-16(2)39-17(3)32-27-21(29)12-20(13-24(27)39)26-22(30)14-31-28(35-26)34-25-7-6-19-15-38(9-8-23(19)33-25)11-10-37(5)18(4)36-40/h6-7,12-14,16,40H,8-11,15H2,1-5H3,(H,31,33,34,35)/b36-18+
Affinity DataIC50: 3.10nMAssay Description:Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM6309(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)
Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)
Affinity DataIC50: 3.20nMAssay Description:Inhibition of human full-length N-terminal GST tagged CDK6 (1 to 326 residues)/GST-tagged cyclinD3 (1 to 292 residues) expressed in baculovirus expre...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM6309(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)
Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)
Affinity DataIC50: 3.20nMAssay Description:Inhibition of recombinant human full-length N-terminal GST-fused CDK4 (1 to 303 residues)/GST-tagged CyclinD3 (1 to 292 residues) expressed in baculo...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM515923(US11053238, Compound 16b | US11053238, Example 16b)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5COC[C@H](C)n5c4c3)nc2)CC1
Show InChI InChI=1S/C27H30F2N8O/c1-3-35-6-8-36(9-7-35)14-18-4-5-23(30-12-18)32-27-31-13-21(29)25(34-27)19-10-20(28)26-22(11-19)37-17(2)15-38-16-24(37)33-26/h4-5,10-13,17H,3,6-9,14-16H2,1-2H3,(H,30,31,32,34)/t17-/m0/s1
Affinity DataIC50: 3.40nMAssay Description:To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM6309(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)
Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)
Affinity DataIC50: 3.40nMAssay Description:Inhibition of CDK4/Cyclin D3 (unknown origin) by mobility shift assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50564284(CHEMBL4785811)
Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n2cc(C)nc12
Show InChI InChI=1S/C23H25N7O/c1-14-13-30-21-19(15(2)20(16(3)31)22(30)26-14)12-25-23(28-21)27-17-4-6-18(7-5-17)29-10-8-24-9-11-29/h4-7,12-13,24H,8-11H2,1-3H3,(H,25,27,28)
Affinity DataIC50: 3.60nMAssay Description:Inhibition of recombinant human full-length N-terminal GST-fused CDK4 (1 to 303 residues)/GST-tagged CyclinD3 (1 to 292 residues) expressed in baculo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50564290(CHEMBL4783539)
Show SMILES CC(C)c1cn2c(n1)c(C(C)=O)c(C)c1cnc(Nc3ccc(cn3)N3CCNCC3)nc21
Show InChI InChI=1S/C24H28N8O/c1-14(2)19-13-32-22-18(15(3)21(16(4)33)23(32)28-19)12-27-24(30-22)29-20-6-5-17(11-26-20)31-9-7-25-8-10-31/h5-6,11-14,25H,7-10H2,1-4H3,(H,26,27,29,30)
Affinity DataIC50: 3.70nMAssay Description:Inhibition of recombinant human full-length N-terminal GST-fused CDK4 (1 to 303 residues)/GST-tagged CyclinD3 (1 to 292 residues) expressed in baculo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM2579((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
Affinity DataIC50: 3.70nMAssay Description:Inhibition of human CDK4/cyclin-D3 using RB-CTF as substrate by [gamma-33P]-ATP assayMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50564290(CHEMBL4783539)
Show SMILES CC(C)c1cn2c(n1)c(C(C)=O)c(C)c1cnc(Nc3ccc(cn3)N3CCNCC3)nc21
Show InChI InChI=1S/C24H28N8O/c1-14(2)19-13-32-22-18(15(3)21(16(4)33)23(32)28-19)12-27-24(30-22)29-20-6-5-17(11-26-20)31-9-7-25-8-10-31/h5-6,11-14,25H,7-10H2,1-4H3,(H,26,27,29,30)
Affinity DataIC50: 3.70nMAssay Description:Inhibition of human full-length N-terminal GST tagged CDK6 (1 to 326 residues)/GST-tagged cyclinD3 (1 to 292 residues) expressed in baculovirus expre...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50564293(CHEMBL4779845)
Show SMILES CC(C)c1cn2c(n1)c(C(C)=O)c(C)c1cnc(Nc3ccc(cn3)N3CCC4(CCNC4)C3)nc21
Show InChI InChI=1S/C27H32N8O/c1-16(2)21-13-35-24-20(17(3)23(18(4)36)25(35)31-21)12-30-26(33-24)32-22-6-5-19(11-29-22)34-10-8-27(15-34)7-9-28-14-27/h5-6,11-13,16,28H,7-10,14-15H2,1-4H3,(H,29,30,32,33)
Affinity DataIC50: 3.80nMAssay Description:Inhibition of human full-length N-terminal GST tagged CDK6 (1 to 326 residues)/GST-tagged cyclinD3 (1 to 292 residues) expressed in baculovirus expre...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50564293(CHEMBL4779845)
Show SMILES CC(C)c1cn2c(n1)c(C(C)=O)c(C)c1cnc(Nc3ccc(cn3)N3CCC4(CCNC4)C3)nc21
Show InChI InChI=1S/C27H32N8O/c1-16(2)21-13-35-24-20(17(3)23(18(4)36)25(35)31-21)12-30-26(33-24)32-22-6-5-19(11-29-22)34-10-8-27(15-34)7-9-28-14-27/h5-6,11-13,16,28H,7-10,14-15H2,1-4H3,(H,29,30,32,33)
Affinity DataIC50: 4nMAssay Description:Inhibition of recombinant human full-length N-terminal GST-fused CDK4 (1 to 303 residues)/GST-tagged CyclinD3 (1 to 292 residues) expressed in baculo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM516039(US11053238, Compound 2a | US11053238, Compound 2b)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCCCn4c3c2)nc1
Show InChI InChI=1S/C25H26F2N8/c1-33-8-10-34(11-9-33)17-5-6-21(28-14-17)30-25-29-15-19(27)23(32-25)16-12-18(26)24-20(13-16)35-7-3-2-4-22(35)31-24/h5-6,12-15H,2-4,7-11H2,1H3,(H,28,29,30,32)
Affinity DataIC50: 4.10nMAssay Description:To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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