Compile Data Set for Download or QSAR
Found 148 of kd for UniProtKB: P11802
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Show SMILES COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
Show InChI InChI=1S/C18H21F2N5O4S/c1-29-13-4-3-12(19)15(20)14(13)16(26)11-9-22-18(24-17(11)21)23-10-5-7-25(8-6-10)30(2,27)28/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24)
Affinity DataKd:  0.610nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM50332294(CHEMBL1287853 | N-tert-butyl-3-(5-methyl-2-(4-(2-(...)
Show SMILES Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)
Affinity DataKd:  870nMAssay Description:Binding constant for CDK4-cyclinD3 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM6568(6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfa...)
Show SMILES CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1
Show InChI InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM25013(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S...)
Show SMILES CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM50355497(AZD-6244 | CHEMBL1614701)
Show SMILES Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO
Show InChI InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for CDK4-cyclinD3 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM21(6-[(4R,5S,6S,7R)-4,7-dibenzyl-3-(5-carboxypentyl)-...)
Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for CDK4-cyclinD3 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM25028(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

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 DataKd:  50nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM25084(3-[2,4-diamino-6-(3-hydroxyphenyl)pteridin-7-yl]ph...)
Show SMILES Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
Show InChI InChI=1S/C18H14N6O2/c19-16-15-17(24-18(20)23-16)22-14(10-4-2-6-12(26)8-10)13(21-15)9-3-1-5-11(25)7-9/h1-8,25-26H,(H4,19,20,22,23,24)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM25617(N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for CDK4-cyclinD3 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM50309910(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for CDK4-cyclinD3 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM60589(6-{[6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4...)
Show SMILES Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
Show InChI InChI=1S/C18H13N7S/c1-24-11-13(10-20-24)16-6-7-17-21-22-18(25(17)23-16)26-14-4-5-15-12(9-14)3-2-8-19-15/h2-11H,1H3
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM50308060(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)
Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
Affinity DataKd:  35nMAssay Description:Binding constant for CDK4-cyclinD3 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM15244(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)
Show SMILES Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1
Show InChI InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM5931(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)
Affinity DataKd:  69nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM50132260(2-(2-Chloro-4-iodo-phenylamino)-N-cyclopropylmetho...)
Show SMILES Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
Show InChI InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM24773(AMG 706 | AMG-706 | Motesanib | N-(3,3-dimethyl-1,...)
Show SMILES CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
Show InChI InChI=1S/C22H23N5O/c1-22(2)14-26-19-12-16(5-6-18(19)22)27-21(28)17-4-3-9-24-20(17)25-13-15-7-10-23-11-8-15/h3-12,26H,13-14H2,1-2H3,(H,24,25)(H,27,28)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM31085(1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)
Affinity DataKd:  1.30E+3nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM50128285(3-(1-Methyl-1H-indol-3-yl)-4-[1-(1-pyridin-2-ylmet...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C32H29N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM31088(1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-y...)
Show SMILES Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Show InChI InChI=1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14-4-2-13(3-5-14)23(25,26)27)37-16-8-9-31-18(11-16)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM25045(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM50355499(CHEMBL1908395 | CHEMBL1908842)
Show SMILES CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1
Show InChI InChI=1S/C26H32N6O2/c1-31(2)17-24(33)32-12-10-18(11-13-32)20-8-9-23(22(14-20)19-6-4-3-5-7-19)30-26(34)25-28-16-21(15-27)29-25/h6,8-9,14,16,18H,3-5,7,10-13,17H2,1-2H3,(H,28,29)(H,30,34)
Affinity DataKd:  5.00E+3nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM50355494(CHEMBL1908396)
Show SMILES COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
Show InChI InChI=1S/C24H24N4O5S/c1-14(23-26-9-10-34-23)27-24(29)28-17-6-5-15(11-20(17)30-2)33-19-7-8-25-18-13-22(32-4)21(31-3)12-16(18)19/h5-14H,1-4H3,(H2,27,28,29)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM50355496(CHEMBL1908397)
Show SMILES O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
Show InChI InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)/b10-7+
Affinity DataKd:  820nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM50355495(CHEMBL1908391)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C28H30N6OS/c1-20-5-10-24(16-25(20)31-28-32-26(19-36-28)23-4-3-11-29-17-23)30-27(35)22-8-6-21(7-9-22)18-34-14-12-33(2)13-15-34/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,30,35)(H,31,32)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM50355504(CHEMBL1908393)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C34H36F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3,5-9,12,19-22H,2,4,10-11,13-18H2,1H3,(H,38,41)(H,39,42)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM50355500(CHEMBL1908394 | US9695172, GSK461364)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C27H28F3N5O2S/c1-17(19-5-3-4-6-20(19)27(28,29)30)37-23-14-24(38-25(23)26(31)36)35-16-32-21-8-7-18(13-22(21)35)15-34-11-9-33(2)10-12-34/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H2,31,36)/t17-/m1/s1
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM482158(BDBM50242742 | TAE684)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)
Affinity DataKd:  400nMAssay Description:Binding constant for CDK4-cyclinD3 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM50242737((R,Z)-5-(2,6-dichlorobenzylsulfonyl)-3-((3,5-dimet...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1
Show InChI InChI=1S/C32H34Cl2N4O4S/c1-19-29(35-20(2)30(19)32(40)38-14-6-7-21(38)17-37-12-3-4-13-37)16-24-23-15-22(10-11-28(23)36-31(24)39)43(41,42)18-25-26(33)8-5-9-27(25)34/h5,8-11,15-16,21,35H,3-4,6-7,12-14,17-18H2,1-2H3,(H,36,39)/b24-16-/t21-/m1/s1
Affinity DataKd:  380nMAssay Description:Binding constant for CDK4-cyclinD3 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM50026612(BIBF-1120 | Nintedanib | US10981896, Compound Nint...)
Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-
Affinity DataKd:  160nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM24654(4-N-(2,6-dichlorobenzene)-3-N-(piperidin-4-yl)-1H-...)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
Show InChI InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)
Affinity DataKd:  12nMAssay Description:Binding constant for CDK4-cyclinD3 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM5445(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for CDK4-cyclinD3 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM25117(AG-013736 | AXITINIB | N-methyl-2-({3-[(E)-2-(pyri...)
Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
Show InChI InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for CDK4-cyclinD3 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM31095(5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-yli...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
Show InChI InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1
Affinity DataKd:  7.10E+3nMAssay Description:Binding constant for CDK4-cyclinD3 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM50237710(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM4851((4-chlorophenyl)-[4-(4-pyridylmethyl)phthalazin-1-...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM21079(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM32362(5-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]m...)
Show SMILES COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
Show InChI InChI=1S/C20H22N4O3/c1-25-16-6-3-13(4-7-16)12-27-17-8-5-14(10-18(17)26-2)9-15-11-23-20(22)24-19(15)21/h3-8,10-11H,9,12H2,1-2H3,(H4,21,22,23,24)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for CDK4-cyclinD3 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM36409(2-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin...)
Show SMILES CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)
Affinity DataKd:  7.30E+3nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM50184807((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)
Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM15138(5-indazolyl pyridine 11g | 5-{5-[(2S)-2-amino-3-ph...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1
Show InChI InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21
Show InChI InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1
Affinity DataKd:  280nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM26300(2-{3-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}qu...)
Show SMILES CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
Show InChI InChI=1S/C26H30FN7O3/c1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM25919(BMS-345541 | BMS345541 | CHEMBL471496 | N-(2-amino...)
Show SMILES Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
Show InChI InChI=1S/C14H17N5/c1-9-3-4-11-12(7-9)19-10(2)8-17-14(19)13(18-11)16-6-5-15/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for CDK4-cyclinD3 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM50331096(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-6-methoxy-7...)
Show SMILES COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,12-15,29H,3-5,8-11H2,1-2H3
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for CDK4-cyclinD3 kinase domainMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM4814(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
Affinity DataKd:  6.20E+3nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
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