Compile Data Set for Download or QSAR
Found 79 Enz. Inhib. hit(s) with all data for entry = 50001775
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367855(CHEMBL4175929)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C21H22F3N5O2S/c1-28-14-16(12-26-28)15-2-5-19(6-3-15)32(30,31)29-10-8-18(9-11-29)27-20-7-4-17(13-25-20)21(22,23)24/h2-7,12-14,18H,8-11H2,1H3,(H,25,27)
Affinity DataIC50: 5.80nMAssay Description:Inhibition of GST-tagged human CDK2/CCNA2 (04 to 103 residues) pre-incubated for 5 mins before addition of histone H1 substrate and [gamma-33P]ATP an...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 13/Cyclin-K(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367676(CHEMBL4160662)
Show SMILES Cn1cc(ccc1=O)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C32H32N6O2/c1-37-22-26(10-18-31(37)39)25-8-13-28(14-9-25)38(32(40)35-20-23-5-3-2-4-6-23)29-15-11-27(12-16-29)36-30-17-7-24(19-33)21-34-30/h2-10,13-14,17-18,21-22,27,29H,11-12,15-16,20H2,1H3,(H,34,36)(H,35,40)/t27-,29-
Affinity DataIC50: 10nMAssay Description:Inhibition of N-terminal FLAG-tagged human full-length CDK13 (1 to 1512 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...More data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367737(CHEMBL4173631)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C#N
Show InChI InChI=1S/C21H22N6O2S/c1-26-15-18(14-24-26)17-3-5-20(6-4-17)30(28,29)27-10-8-19(9-11-27)25-21-7-2-16(12-22)13-23-21/h2-7,13-15,19H,8-11H2,1H3,(H,23,25)
Affinity DataIC50: 10nMAssay Description:Inhibition of GST-tagged human CDK2/CCNA2 (04 to 103 residues) pre-incubated for 5 mins before addition of histone H1 substrate and [gamma-33P]ATP an...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 12(Homo sapiens)
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367857(CHEMBL4159417)
Show SMILES CC(=O)N([C@H]1CC[C@@H](CC1)Nc1ncc2ccccc2n1)c1ccc(cc1)-c1cnn(C)c1
Show InChI InChI=1S/C26H28N6O/c1-18(33)32(23-11-7-19(8-12-23)21-16-28-31(2)17-21)24-13-9-22(10-14-24)29-26-27-15-20-5-3-4-6-25(20)30-26/h3-8,11-12,15-17,22,24H,9-10,13-14H2,1-2H3,(H,27,29,30)/t22-,24-
Affinity DataIC50: 13nMAssay Description:Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...More data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

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: 14nMAssay Description:Inhibition of GST-tagged human CDK9/CycT1 (04 to 110 residues) assessed as reduction in ATP-dependent ULight-4E-BP1 (Thr37/Thr46) substrate peptide p...More data for this Ligand-Target Pair
TargetCyclin-C(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

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: 15nMAssay Description:Inhibition of GST-tagged human CDK8/CycC (04 to 109 residues) using kinase tracer 236 probe incubated for 60 mins by TR-FRET assayMore data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367857(CHEMBL4159417)
Show SMILES CC(=O)N([C@H]1CC[C@@H](CC1)Nc1ncc2ccccc2n1)c1ccc(cc1)-c1cnn(C)c1
Show InChI InChI=1S/C26H28N6O/c1-18(33)32(23-11-7-19(8-12-23)21-16-28-31(2)17-21)24-13-9-22(10-14-24)29-26-27-15-20-5-3-4-6-25(20)30-26/h3-8,11-12,15-17,22,24H,9-10,13-14H2,1-2H3,(H,27,29,30)/t22-,24-
Affinity DataIC50: 24nMAssay Description:Inhibition of GST-tagged human CDK2/CCNA2 (04 to 103 residues) pre-incubated for 5 mins before addition of histone H1 substrate and [gamma-33P]ATP an...More data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367955(CHEMBL4174716)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)S(C)(=O)=O
Show InChI InChI=1S/C23H26N6O2S/c1-28-16-19(15-26-28)18-4-8-21(9-5-18)29(32(2,30)31)22-10-6-20(7-11-22)27-23-12-3-17(13-24)14-25-23/h3-5,8-9,12,14-16,20,22H,6-7,10-11H2,1-2H3,(H,25,27)/t20-,22-
Affinity DataIC50: 31nMAssay Description:Inhibition of GST-tagged human CDK2/CCNA2 (04 to 103 residues) pre-incubated for 5 mins before addition of histone H1 substrate and [gamma-33P]ATP an...More data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367873(CHEMBL4169139)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1cc(ccn1)C#N
Show InChI InChI=1S/C21H22N6O2S/c1-26-15-18(14-24-26)17-2-4-20(5-3-17)30(28,29)27-10-7-19(8-11-27)25-21-12-16(13-22)6-9-23-21/h2-6,9,12,14-15,19H,7-8,10-11H2,1H3,(H,23,25)
Affinity DataIC50: 32nMAssay Description:Inhibition of GST-tagged human CDK2/CCNA2 (04 to 103 residues) pre-incubated for 5 mins before addition of histone H1 substrate and [gamma-33P]ATP an...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 12(Homo sapiens)
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367957(CHEMBL4174715)
Show SMILES Cn1ccc(cc1=O)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C32H32N6O2/c1-37-18-17-26(19-31(37)39)25-8-12-28(13-9-25)38(32(40)35-21-23-5-3-2-4-6-23)29-14-10-27(11-15-29)36-30-16-7-24(20-33)22-34-30/h2-9,12-13,16-19,22,27,29H,10-11,14-15,21H2,1H3,(H,34,36)(H,35,40)/t27-,29-
Affinity DataIC50: 44nMAssay Description:Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...More data for this Ligand-Target Pair
TargetCyclin-K/Cyclin-dependent kinase 12(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367676(CHEMBL4160662)
Show SMILES Cn1cc(ccc1=O)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C32H32N6O2/c1-37-22-26(10-18-31(37)39)25-8-13-28(14-9-25)38(32(40)35-20-23-5-3-2-4-6-23)29-15-11-27(12-16-29)36-30-17-7-24(19-33)21-34-30/h2-10,13-14,17-18,21-22,27,29H,11-12,15-16,20H2,1H3,(H,34,36)(H,35,40)/t27-,29-
Affinity DataIC50: 52nMAssay Description:Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 12(Homo sapiens)
Takeda Pharmaceutical Company Limited

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: 53nMAssay Description:Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 13/Cyclin-K(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

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: 57nMAssay Description:Inhibition of N-terminal FLAG-tagged human full-length CDK13 (1 to 1512 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 12(Homo sapiens)
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367685(CHEMBL4172363)
Show SMILES O=C(NCc1ccccc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C31H30N6O/c32-19-24-8-17-30(34-21-24)36-27-11-15-29(16-12-27)37(31(38)35-20-23-5-2-1-3-6-23)28-13-9-25(10-14-28)26-7-4-18-33-22-26/h1-10,13-14,17-18,21-22,27,29H,11-12,15-16,20H2,(H,34,36)(H,35,38)/t27-,29-
Affinity DataIC50: 59nMAssay Description:Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 12(Homo sapiens)
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367707(CHEMBL4167916)
Show SMILES O=C(NCc1ccccc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccccc1
Show InChI InChI=1S/C26H27N5O/c27-17-21-11-16-25(28-19-21)30-22-12-14-24(15-13-22)31(23-9-5-2-6-10-23)26(32)29-18-20-7-3-1-4-8-20/h1-11,16,19,22,24H,12-15,18H2,(H,28,30)(H,29,32)/t22-,24-
Affinity DataIC50: 63nMAssay Description:Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 12(Homo sapiens)
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367845(CHEMBL4173254)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C30H31N7O/c1-36-21-25(20-34-36)24-8-12-27(13-9-24)37(30(38)33-18-22-5-3-2-4-6-22)28-14-10-26(11-15-28)35-29-16-7-23(17-31)19-32-29/h2-9,12-13,16,19-21,26,28H,10-11,14-15,18H2,1H3,(H,32,35)(H,33,38)/t26-,28-
Affinity DataIC50: 63nMAssay Description:Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 12(Homo sapiens)
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367684(CHEMBL4162567)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C30H37N7O/c1-36-21-25(20-34-36)24-8-12-27(13-9-24)37(30(38)33-18-22-5-3-2-4-6-22)28-14-10-26(11-15-28)35-29-16-7-23(17-31)19-32-29/h7-9,12-13,16,19-22,26,28H,2-6,10-11,14-15,18H2,1H3,(H,32,35)(H,33,38)/t26-,28-
Affinity DataIC50: 99nMAssay Description:Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 12(Homo sapiens)
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367682(CHEMBL4162128)
Show SMILES CC(C)C(=O)OC[C@@H]1O[C@H]([C@@H](O)[C@@H]1O)n1cnc(N)c2c(C(N)=O)c(Br)nc12
Show InChI InChI=1S/C16H20BrN5O6/c1-5(2)16(26)27-3-6-9(23)10(24)15(28-6)22-4-20-12(18)8-7(13(19)25)11(17)21-14(8)22/h4-6,9-10,15,23-24H,3,18H2,1-2H3,(H2,19,25)/t6-,9+,10-,15+/m0/s1
Affinity DataIC50: 110nMAssay Description:Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 12(Homo sapiens)
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367955(CHEMBL4174716)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)S(C)(=O)=O
Show InChI InChI=1S/C23H26N6O2S/c1-28-16-19(15-26-28)18-4-8-21(9-5-18)29(32(2,30)31)22-10-6-20(7-11-22)27-23-12-3-17(13-24)14-25-23/h3-5,8-9,12,14-16,20,22H,6-7,10-11H2,1-2H3,(H,25,27)/t20-,22-
Affinity DataIC50: 110nMAssay Description:Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...More data for this Ligand-Target Pair
TargetCDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

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: 120nMAssay Description:Inhibition of GST-tagged human GST-tagged CDK7/CycH/MAT1 (04 to 108 residues) using kinase tracer 236 probe incubated for 60 mins by TR-FRET assayMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 12(Homo sapiens)
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367919(CHEMBL4159594)
Show SMILES CC(=O)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1cnn(C)c1
Show InChI InChI=1S/C24H26N6O/c1-17(31)30(22-8-4-19(5-9-22)20-15-27-29(2)16-20)23-10-6-21(7-11-23)28-24-12-3-18(13-25)14-26-24/h3-5,8-9,12,14-16,21,23H,6-7,10-11H2,1-2H3,(H,26,28)/t21-,23-
Affinity DataIC50: 130nMAssay Description:Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 12(Homo sapiens)
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367840(CHEMBL4162954)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)CCc1ccccc1
Show InChI InChI=1S/C17H19N9O4S/c18-12-9-14(21-4-20-12)26(5-22-9)16-11(28)10(27)8(30-16)3-31-2-6-1-7-13(23-6)24-17(19)25-15(7)29/h1,4-5,8,10-11,16,27-28H,2-3H2,(H2,18,20,21)(H4,19,23,24,25,29)/t8-,10-,11-,16?/m1/s1
Affinity DataIC50: 160nMAssay Description:Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 12(Homo sapiens)
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367676(CHEMBL4160662)
Show SMILES Cn1cc(ccc1=O)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C32H32N6O2/c1-37-22-26(10-18-31(37)39)25-8-13-28(14-9-25)38(32(40)35-20-23-5-3-2-4-6-23)29-15-11-27(12-16-29)36-30-17-7-24(19-33)21-34-30/h2-10,13-14,17-18,21-22,27,29H,11-12,15-16,20H2,1H3,(H,34,36)(H,35,40)/t27-,29-
Affinity DataIC50: 195nMAssay Description:Inhibition of CDK12 in human SK-BR-3 cells assessed as reduction in RNA polymerase 2 Ser2 phosphorylation incubated for 4 hrs byMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 12(Homo sapiens)
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367856(CHEMBL4166407)
Show SMILES COC(=O)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1cnn(C)c1
Show InChI InChI=1S/C24H26N6O2/c1-29-16-19(15-27-29)18-4-8-21(9-5-18)30(24(31)32-2)22-10-6-20(7-11-22)28-23-12-3-17(13-25)14-26-23/h3-5,8-9,12,14-16,20,22H,6-7,10-11H2,1-2H3,(H,26,28)/t20-,22-
Affinity DataIC50: 200nMAssay Description:Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...More data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367682(CHEMBL4162128)
Show SMILES CC(C)C(=O)OC[C@@H]1O[C@H]([C@@H](O)[C@@H]1O)n1cnc(N)c2c(C(N)=O)c(Br)nc12
Show InChI InChI=1S/C16H20BrN5O6/c1-5(2)16(26)27-3-6-9(23)10(24)15(28-6)22-4-20-12(18)8-7(13(19)25)11(17)21-14(8)22/h4-6,9-10,15,23-24H,3,18H2,1-2H3,(H2,19,25)/t6-,9+,10-,15+/m0/s1
Affinity DataIC50: 220nMAssay Description:Inhibition of GST-tagged human CDK9/CycT1 (04 to 110 residues) assessed as reduction in ATP-dependent ULight-4E-BP1 (Thr37/Thr46) substrate peptide p...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 12(Homo sapiens)
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367854(CHEMBL4164483)
Show SMILES Cn1cccc(-c2ccc(cc2)N([C@H]2CC[C@@H](CC2)Nc2ccc(cn2)C#N)C(=O)NCc2ccccc2)c1=O
Show InChI InChI=1S/C32H32N6O2/c1-37-19-5-8-29(31(37)39)25-10-14-27(15-11-25)38(32(40)35-21-23-6-3-2-4-7-23)28-16-12-26(13-17-28)36-30-18-9-24(20-33)22-34-30/h2-11,14-15,18-19,22,26,28H,12-13,16-17,21H2,1H3,(H,34,36)(H,35,40)/t26-,28-
Affinity DataIC50: 250nMAssay Description:Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 12(Homo sapiens)
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367682(CHEMBL4162128)
Show SMILES CC(C)C(=O)OC[C@@H]1O[C@H]([C@@H](O)[C@@H]1O)n1cnc(N)c2c(C(N)=O)c(Br)nc12
Show InChI InChI=1S/C16H20BrN5O6/c1-5(2)16(26)27-3-6-9(23)10(24)15(28-6)22-4-20-12(18)8-7(13(19)25)11(17)21-14(8)22/h4-6,9-10,15,23-24H,3,18H2,1-2H3,(H2,19,25)/t6-,9+,10-,15+/m0/s1
Affinity DataIC50: 259nMAssay Description:Inhibition of CDK12 in human SK-BR-3 cells assessed as reduction in RNA polymerase 2 Ser2 phosphorylation incubated for 4 hrs byMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 12(Homo sapiens)
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367679(CHEMBL4164064)
Show SMILES Cn1c(cccc1=O)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C32H32N6O2/c1-37-29(8-5-9-31(37)39)25-11-15-27(16-12-25)38(32(40)35-21-23-6-3-2-4-7-23)28-17-13-26(14-18-28)36-30-19-10-24(20-33)22-34-30/h2-12,15-16,19,22,26,28H,13-14,17-18,21H2,1H3,(H,34,36)(H,35,40)/t26-,28-
Affinity DataIC50: 310nMAssay Description:Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 12(Homo sapiens)
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367737(CHEMBL4173631)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C#N
Show InChI InChI=1S/C21H22N6O2S/c1-26-15-18(14-24-26)17-3-5-20(6-4-17)30(28,29)27-10-8-19(9-11-27)25-21-7-2-16(12-22)13-23-21/h2-7,13-15,19H,8-11H2,1H3,(H,23,25)
Affinity DataIC50: 360nMAssay Description:Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 12(Homo sapiens)
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367843(CHEMBL4174324)
Show SMILES CCNC(=O)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1cnn(C)c1
Show InChI InChI=1S/C25H29N7O/c1-3-27-25(33)32(22-9-5-19(6-10-22)20-16-29-31(2)17-20)23-11-7-21(8-12-23)30-24-13-4-18(14-26)15-28-24/h4-6,9-10,13,15-17,21,23H,3,7-8,11-12H2,1-2H3,(H,27,33)(H,28,30)/t21-,23-
Affinity DataIC50: 460nMAssay Description:Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...More data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367919(CHEMBL4159594)
Show SMILES CC(=O)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1cnn(C)c1
Show InChI InChI=1S/C24H26N6O/c1-17(31)30(22-8-4-19(5-9-22)20-15-27-29(2)16-20)23-10-6-21(7-11-23)28-24-12-3-18(13-25)14-26-24/h3-5,8-9,12,14-16,21,23H,6-7,10-11H2,1-2H3,(H,26,28)/t21-,23-
Affinity DataIC50: 470nMAssay Description:Inhibition of GST-tagged human CDK2/CCNA2 (04 to 103 residues) pre-incubated for 5 mins before addition of histone H1 substrate and [gamma-33P]ATP an...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 12(Homo sapiens)
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367683(CHEMBL4170884)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)OCc1ccccc1
Show InChI InChI=1S/C30H30N6O2/c1-35-20-25(19-33-35)24-8-12-27(13-9-24)36(30(37)38-21-22-5-3-2-4-6-22)28-14-10-26(11-15-28)34-29-16-7-23(17-31)18-32-29/h2-9,12-13,16,18-20,26,28H,10-11,14-15,21H2,1H3,(H,32,34)/t26-,28-
Affinity DataIC50: 640nMAssay Description:Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...More data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367874(CHEMBL4172525)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccccn1
Show InChI InChI=1S/C20H23N5O2S/c1-24-15-17(14-22-24)16-5-7-19(8-6-16)28(26,27)25-12-9-18(10-13-25)23-20-4-2-3-11-21-20/h2-8,11,14-15,18H,9-10,12-13H2,1H3,(H,21,23)
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of GST-tagged human CDK2/CCNA2 (04 to 103 residues) pre-incubated for 5 mins before addition of histone H1 substrate and [gamma-33P]ATP an...More data for this Ligand-Target Pair
TargetCDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367682(CHEMBL4162128)
Show SMILES CC(C)C(=O)OC[C@@H]1O[C@H]([C@@H](O)[C@@H]1O)n1cnc(N)c2c(C(N)=O)c(Br)nc12
Show InChI InChI=1S/C16H20BrN5O6/c1-5(2)16(26)27-3-6-9(23)10(24)15(28-6)22-4-20-12(18)8-7(13(19)25)11(17)21-14(8)22/h4-6,9-10,15,23-24H,3,18H2,1-2H3,(H2,19,25)/t6-,9+,10-,15+/m0/s1
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of GST-tagged human GST-tagged CDK7/CycH/MAT1 (04 to 108 residues) using kinase tracer 236 probe incubated for 60 mins by TR-FRET assayMore data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367856(CHEMBL4166407)
Show SMILES COC(=O)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1cnn(C)c1
Show InChI InChI=1S/C24H26N6O2/c1-29-16-19(15-27-29)18-4-8-21(9-5-18)30(24(31)32-2)22-10-6-20(7-11-22)28-23-12-3-17(13-25)14-26-23/h3-5,8-9,12,14-16,20,22H,6-7,10-11H2,1-2H3,(H,26,28)/t20-,22-
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of GST-tagged human CDK2/CCNA2 (04 to 103 residues) pre-incubated for 5 mins before addition of histone H1 substrate and [gamma-33P]ATP an...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 12(Homo sapiens)
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367855(CHEMBL4175929)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C21H22F3N5O2S/c1-28-14-16(12-26-28)15-2-5-19(6-3-15)32(30,31)29-10-8-18(9-11-29)27-20-7-4-17(13-25-20)21(22,23)24/h2-7,12-14,18H,8-11H2,1H3,(H,25,27)
Affinity DataIC50: 1.80E+3nMAssay Description:Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...More data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367683(CHEMBL4170884)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)OCc1ccccc1
Show InChI InChI=1S/C30H30N6O2/c1-35-20-25(19-33-35)24-8-12-27(13-9-24)36(30(37)38-21-22-5-3-2-4-6-22)28-14-10-26(11-15-28)34-29-16-7-23(17-31)18-32-29/h2-9,12-13,16,18-20,26,28H,10-11,14-15,21H2,1H3,(H,32,34)/t26-,28-
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of GST-tagged human CDK2/CCNA2 (04 to 103 residues) pre-incubated for 5 mins before addition of histone H1 substrate and [gamma-33P]ATP an...More data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367840(CHEMBL4162954)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)CCc1ccccc1
Show InChI InChI=1S/C17H19N9O4S/c18-12-9-14(21-4-20-12)26(5-22-9)16-11(28)10(27)8(30-16)3-31-2-6-1-7-13(23-6)24-17(19)25-15(7)29/h1,4-5,8,10-11,16,27-28H,2-3H2,(H2,18,20,21)(H4,19,23,24,25,29)/t8-,10-,11-,16?/m1/s1
Affinity DataIC50: 2.90E+3nMAssay Description:Inhibition of GST-tagged human CDK2/CCNA2 (04 to 103 residues) pre-incubated for 5 mins before addition of histone H1 substrate and [gamma-33P]ATP an...More data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367843(CHEMBL4174324)
Show SMILES CCNC(=O)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1cnn(C)c1
Show InChI InChI=1S/C25H29N7O/c1-3-27-25(33)32(22-9-5-19(6-10-22)20-16-29-31(2)17-20)23-11-7-21(8-12-23)30-24-13-4-18(14-26)15-28-24/h4-6,9-10,13,15-17,21,23H,3,7-8,11-12H2,1-2H3,(H,27,33)(H,28,30)/t21-,23-
Affinity DataIC50: 4.80E+3nMAssay Description:Inhibition of GST-tagged human CDK2/CCNA2 (04 to 103 residues) pre-incubated for 5 mins before addition of histone H1 substrate and [gamma-33P]ATP an...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 12(Homo sapiens)
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367956(CHEMBL4164065)
Show SMILES Cn1cc(cn1)-c1ccc(N[C@H]2CC[C@@H](CC2)Nc2ccc(cn2)C#N)cc1
Show InChI InChI=1S/C22H24N6/c1-28-15-18(14-25-28)17-3-5-19(6-4-17)26-20-7-9-21(10-8-20)27-22-11-2-16(12-23)13-24-22/h2-6,11,13-15,20-21,26H,7-10H2,1H3,(H,24,27)/t20-,21-
Affinity DataIC50: 8.60E+3nMAssay Description:Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...More data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367956(CHEMBL4164065)
Show SMILES Cn1cc(cn1)-c1ccc(N[C@H]2CC[C@@H](CC2)Nc2ccc(cn2)C#N)cc1
Show InChI InChI=1S/C22H24N6/c1-28-15-18(14-25-28)17-3-5-19(6-4-17)26-20-7-9-21(10-8-20)27-22-11-2-16(12-23)13-24-22/h2-6,11,13-15,20-21,26H,7-10H2,1H3,(H,24,27)/t20-,21-
Affinity DataIC50: 9.80E+3nMAssay Description:Inhibition of GST-tagged human CDK2/CCNA2 (04 to 103 residues) pre-incubated for 5 mins before addition of histone H1 substrate and [gamma-33P]ATP an...More data for this Ligand-Target Pair
TargetCDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367737(CHEMBL4173631)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C#N
Show InChI InChI=1S/C21H22N6O2S/c1-26-15-18(14-24-26)17-3-5-20(6-4-17)30(28,29)27-10-8-19(9-11-27)25-21-7-2-16(12-22)13-23-21/h2-7,13-15,19H,8-11H2,1H3,(H,23,25)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of GST-tagged human GST-tagged CDK7/CycH/MAT1 (04 to 108 residues) using kinase tracer 236 probe incubated for 60 mins by TR-FRET assayMore data for this Ligand-Target Pair
TargetCyclin-C(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367676(CHEMBL4160662)
Show SMILES Cn1cc(ccc1=O)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C32H32N6O2/c1-37-22-26(10-18-31(37)39)25-8-13-28(14-9-25)38(32(40)35-20-23-5-3-2-4-6-23)29-15-11-27(12-16-29)36-30-17-7-24(19-33)21-34-30/h2-10,13-14,17-18,21-22,27,29H,11-12,15-16,20H2,1H3,(H,34,36)(H,35,40)/t27-,29-
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of GST-tagged human CDK8/CycC (04 to 109 residues) using kinase tracer 236 probe incubated for 60 mins by TR-FRET assayMore data for this Ligand-Target Pair
TargetCDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367676(CHEMBL4160662)
Show SMILES Cn1cc(ccc1=O)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C32H32N6O2/c1-37-22-26(10-18-31(37)39)25-8-13-28(14-9-25)38(32(40)35-20-23-5-3-2-4-6-23)29-15-11-27(12-16-29)36-30-17-7-24(19-33)21-34-30/h2-10,13-14,17-18,21-22,27,29H,11-12,15-16,20H2,1H3,(H,34,36)(H,35,40)/t27-,29-
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of GST-tagged human GST-tagged CDK7/CycH/MAT1 (04 to 108 residues) using kinase tracer 236 probe incubated for 60 mins by TR-FRET assayMore data for this Ligand-Target Pair
TargetCDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367849(CHEMBL4175774)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)N([C@@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C30H31N7O/c1-36-21-25(20-34-36)24-8-12-27(13-9-24)37(30(38)33-18-22-5-3-2-4-6-22)28-14-10-26(11-15-28)35-29-16-7-23(17-31)19-32-29/h2-9,12-13,16,19-21,26,28H,10-11,14-15,18H2,1H3,(H,32,35)(H,33,38)/t26-,28+
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of GST-tagged human GST-tagged CDK7/CycH/MAT1 (04 to 108 residues) using kinase tracer 236 probe incubated for 60 mins by TR-FRET assayMore data for this Ligand-Target Pair
TargetCyclin-C(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367737(CHEMBL4173631)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C#N
Show InChI InChI=1S/C21H22N6O2S/c1-26-15-18(14-24-26)17-3-5-20(6-4-17)30(28,29)27-10-8-19(9-11-27)25-21-7-2-16(12-22)13-23-21/h2-7,13-15,19H,8-11H2,1H3,(H,23,25)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of GST-tagged human CDK8/CycC (04 to 109 residues) using kinase tracer 236 probe incubated for 60 mins by TR-FRET assayMore data for this Ligand-Target Pair
TargetCyclin-C(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367849(CHEMBL4175774)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)N([C@@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C30H31N7O/c1-36-21-25(20-34-36)24-8-12-27(13-9-24)37(30(38)33-18-22-5-3-2-4-6-22)28-14-10-26(11-15-28)35-29-16-7-23(17-31)19-32-29/h2-9,12-13,16,19-21,26,28H,10-11,14-15,18H2,1H3,(H,32,35)(H,33,38)/t26-,28+
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of GST-tagged human CDK8/CycC (04 to 109 residues) using kinase tracer 236 probe incubated for 60 mins by TR-FRET assayMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 13/Cyclin-K(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367849(CHEMBL4175774)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)N([C@@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C30H31N7O/c1-36-21-25(20-34-36)24-8-12-27(13-9-24)37(30(38)33-18-22-5-3-2-4-6-22)28-14-10-26(11-15-28)35-29-16-7-23(17-31)19-32-29/h2-9,12-13,16,19-21,26,28H,10-11,14-15,18H2,1H3,(H,32,35)(H,33,38)/t26-,28+
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of N-terminal FLAG-tagged human full-length CDK13 (1 to 1512 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...More data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367854(CHEMBL4164483)
Show SMILES Cn1cccc(-c2ccc(cc2)N([C@H]2CC[C@@H](CC2)Nc2ccc(cn2)C#N)C(=O)NCc2ccccc2)c1=O
Show InChI InChI=1S/C32H32N6O2/c1-37-19-5-8-29(31(37)39)25-10-14-27(15-11-25)38(32(40)35-21-23-6-3-2-4-7-23)28-16-12-26(13-17-28)36-30-18-9-24(20-33)22-34-30/h2-11,14-15,18-19,22,26,28H,12-13,16-17,21H2,1H3,(H,34,36)(H,35,40)/t26-,28-
Affinity DataIC50: 1.50E+4nMAssay Description:Inhibition of GST-tagged human CDK9/CycT1 (04 to 110 residues) assessed as reduction in ATP-dependent ULight-4E-BP1 (Thr37/Thr46) substrate peptide p...More data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50367676(CHEMBL4160662)
Show SMILES Cn1cc(ccc1=O)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C32H32N6O2/c1-37-22-26(10-18-31(37)39)25-8-13-28(14-9-25)38(32(40)35-20-23-5-3-2-4-6-23)29-15-11-27(12-16-29)36-30-17-7-24(19-33)21-34-30/h2-10,13-14,17-18,21-22,27,29H,11-12,15-16,20H2,1H3,(H,34,36)(H,35,40)/t27-,29-
Affinity DataIC50: 1.60E+4nMAssay Description:Inhibition of GST-tagged human CDK9/CycT1 (04 to 110 residues) assessed as reduction in ATP-dependent ULight-4E-BP1 (Thr37/Thr46) substrate peptide p...More data for this Ligand-Target Pair
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