Compile Data Set for Download or QSAR
Found 3092 Enz. Inhib. hit(s) with Target = 'Cyclin-T1/Cyclin-dependent kinase 9'
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM81441(CDK Inhibitor, 14)
Show SMILES Cc1c(sc(=O)n1C)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1
Show InChI InChI=1S/C19H22N6OS/c1-13-17(27-19(26)24(13)2)16-7-8-21-18(23-16)22-14-3-5-15(6-4-14)25-11-9-20-10-12-25/h3-8,20H,9-12H2,1-2H3,(H,21,22,23)
Affinity DataKi:  0.400nMAssay Description:Inhibition of recombinant human His-tagged CDK9/cyclin T1 expressed in baculovirus infected sf9 cells using (biotinyl-Ahx-(Tyr-Ser-ProThr-Ser-Pro-Ser...More data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50553486(CHEMBL4782409)
Show SMILES CN1CC[C@H]([C@@H]1CO)c1c(OP(O)(O)=O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C22H20ClF3NO8P/c1-27-5-4-12(14(27)9-28)19-18(35-36(31,32)33)8-16(30)20-15(29)7-17(34-21(19)20)11-3-2-10(6-13(11)23)22(24,25)26/h2-3,6-8,12,14,28,30H,4-5,9H2,1H3,(H2,31,32,33)/t12-,14+/m1/s1
Affinity DataKi:  1.70nMAssay Description:Inhibition of N-terminal His6-tagged thrombin cleavage site-fused human CDK9 (M1 to F372 residues)/cyclin-T1 (M1 to K726 residues) expressed in bacul...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM81430(CDK Inhibitor, 3)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C15H16N6O2S2/c1-9-13(24-15(17-2)19-9)12-6-7-18-14(21-12)20-10-4-3-5-11(8-10)25(16,22)23/h3-8H,1-2H3,(H,17,19)(H2,16,22,23)(H,18,20,21)
Affinity DataKi:  2nMAssay Description:Inhibition of human recombinant His6 tagged CDK9/CyclinT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysisMore data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50423753(CHEMBL601064)
Show SMILES Cc1nc2CCc3cnc(Nc4cccc(c4)[N+]([O-])=O)nc3-c2s1
Show InChI InChI=1S/C16H13N5O2S/c1-9-18-13-6-5-10-8-17-16(20-14(10)15(13)24-9)19-11-3-2-4-12(7-11)21(22)23/h2-4,7-8H,5-6H2,1H3,(H,17,19,20)
Affinity DataKi:  2nMAssay Description:inhibition of CDK9/CyclinT1More data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50431363(CHEMBL46429)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C15H14N6O2S/c1-9-13(24-15(16-2)18-9)12-6-7-17-14(20-12)19-10-4-3-5-11(8-10)21(22)23/h3-8H,1-2H3,(H,16,18)(H,17,19,20)
Affinity DataKi:  2nMAssay Description:Inhibition of human recombinant His6 tagged CDK9/CyclinT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysisMore data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50431340(CHEMBL2348842)
Show SMILES CNc1nc(c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1)C(F)(F)F
Show InChI InChI=1S/C15H13F3N6O2S2/c1-20-14-24-12(15(16,17)18)11(27-14)10-5-6-21-13(23-10)22-8-3-2-4-9(7-8)28(19,25)26/h2-7H,1H3,(H,20,24)(H2,19,25,26)(H,21,22,23)
Affinity DataKi:  2nMAssay Description:Inhibition of human recombinant His6 tagged CDK9/CyclinT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysisMore data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM5655(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
Affinity DataKi:  3nMAssay Description:Inhibition of CDK9/Cyclin T (1 to 330 amino acid residues) (unknown origin) by differential scanning fluorimetry assayMore data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50431337(CHEMBL2348845)
Show SMILES CNc1ncc(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C14H14N6O2S2/c1-16-14-18-8-12(23-14)11-5-6-17-13(20-11)19-9-3-2-4-10(7-9)24(15,21)22/h2-8H,1H3,(H,16,18)(H2,15,21,22)(H,17,19,20)
Affinity DataKi:  3nMAssay Description:Inhibition of human recombinant His6 tagged CDK9/CyclinT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysisMore data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50431339(CHEMBL2348843)
Show SMILES CNc1nc(c(s1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1)C(F)(F)F
Show InChI InChI=1S/C15H13F3N6O2S2/c1-20-14-24-12(15(16,17)18)11(27-14)10-6-7-21-13(23-10)22-8-2-4-9(5-3-8)28(19,25)26/h2-7H,1H3,(H,20,24)(H2,19,25,26)(H,21,22,23)
Affinity DataKi:  3nMAssay Description:Inhibition of human recombinant His6 tagged CDK9/CyclinT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysisMore data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50423754(CHEMBL598992)
Show SMILES Nc1nc2CCc3cnc(Nc4cccc(c4)[N+]([O-])=O)nc3-c2s1
Show InChI InChI=1S/C15H12N6O2S/c16-14-19-11-5-4-8-7-17-15(20-12(8)13(11)24-14)18-9-2-1-3-10(6-9)21(22)23/h1-3,6-7H,4-5H2,(H2,16,19)(H,17,18,20)
Affinity DataKi:  3nMAssay Description:inhibition of CDK9/CyclinT1More data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50570310(CHEMBL4876861)
Show SMILES CNc1ncc(s1)-c1ccnc(Nc2cccc(c2)N2CCCNCC2)n1
Show InChI InChI=1S/C19H23N7S/c1-20-19-23-13-17(27-19)16-6-8-22-18(25-16)24-14-4-2-5-15(12-14)26-10-3-7-21-9-11-26/h2,4-6,8,12-13,21H,3,7,9-11H2,1H3,(H,20,23)(H,22,24,25)
Affinity DataKi:  3nMAssay Description:Inhibition of recombinant human full length CDK9/Cyclin T1 using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate incubated for 40 mins in presen...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50443449(CHEMBL3087442)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(=O)(=O)NCCOC)ncc1F
Show InChI InChI=1S/C18H21FN6O3S2/c1-11-16(29-18(20-2)23-11)15-14(19)10-21-17(25-15)24-12-5-4-6-13(9-12)30(26,27)22-7-8-28-3/h4-6,9-10,22H,7-8H2,1-3H3,(H,20,23)(H,21,24,25)
Affinity DataKi:  3nMAssay Description:Inhibition of CDK9/Cyclin T1 (unknown origin) by radiometric assayMore data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50443455(CHEMBL3087448)
Show SMILES Cc1nc(N)sc1-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1F
Show InChI InChI=1S/C14H13FN6O2S2/c1-7-12(24-13(16)19-7)11-10(15)6-18-14(21-11)20-8-3-2-4-9(5-8)25(17,22)23/h2-6H,1H3,(H2,16,19)(H2,17,22,23)(H,18,20,21)
Affinity DataKi:  3nMAssay Description:Inhibition of CDK9/Cyclin T1 (unknown origin) by radiometric assayMore data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50431349(CHEMBL2348648)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCOCC2)ncc1F
Show InChI InChI=1S/C19H21FN6OS/c1-12-17(28-19(21-2)23-12)16-15(20)11-22-18(25-16)24-13-4-3-5-14(10-13)26-6-8-27-9-7-26/h3-5,10-11H,6-9H2,1-2H3,(H,21,23)(H,22,24,25)
Affinity DataKi:  3nMAssay Description:Inhibition of human recombinant His6 tagged CDK9/CyclinT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysisMore data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50431360(CHEMBL2347597)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1F
Show InChI InChI=1S/C15H15FN6O2S2/c1-8-13(25-15(18-2)20-8)12-11(16)7-19-14(22-12)21-9-4-3-5-10(6-9)26(17,23)24/h3-7H,1-2H3,(H,18,20)(H2,17,23,24)(H,19,21,22)
Affinity DataKi:  4nMAssay Description:Inhibition of human recombinant His6 tagged CDK9/CyclinT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysisMore data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50431348(CHEMBL2348649)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCNCC2)ncc1Cl
Show InChI InChI=1S/C19H22ClN7S/c1-12-17(28-19(21-2)24-12)16-15(20)11-23-18(26-16)25-13-4-3-5-14(10-13)27-8-6-22-7-9-27/h3-5,10-11,22H,6-9H2,1-2H3,(H,21,24)(H,23,25,26)
Affinity DataKi:  4nMAssay Description:Inhibition of human recombinant His6 tagged CDK9/CyclinT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysisMore data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM8061(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 32 | 4...)
Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
Show InChI InChI=1S/C14H12N6O2S/c1-8-12(23-13(15)17-8)11-5-6-16-14(19-11)18-9-3-2-4-10(7-9)20(21)22/h2-7H,1H3,(H2,15,17)(H,16,18,19)
Affinity DataKi:  4nM ΔG°:  -48.7kJ/molepH: 7.2 T: 2°CAssay Description:In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...More data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50570295(CHEMBL4854124)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCOCC2)ncc1Cl
Show InChI InChI=1S/C19H21ClN6OS/c1-12-17(28-19(21-2)23-12)16-15(20)11-22-18(25-16)24-13-4-3-5-14(10-13)26-6-8-27-9-7-26/h3-5,10-11H,6-9H2,1-2H3,(H,21,23)(H,22,24,25)
Affinity DataKi:  4nMAssay Description:Inhibition of recombinant human full length CDK9/Cyclin T1 using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate incubated for 40 mins in presen...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50229973((4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(...)
Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C14H12N6O2S/c1-8-12(23-13(15)17-8)11-5-6-16-14(19-11)18-9-3-2-4-10(7-9)20(21)22/h2-7H,1H3,(H2,15,17)(H,16,18,19)
Affinity DataKi:  4nMAssay Description:Inhibition of CDK9/cyclin T1 (unknown origin) using (biotinyl-Ahx-(Tyr-Ser-ProThr-Ser-Pro-Ser)4-NH2 as substrate after 45 mins by [gamma-32P]ATP base...More data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50431350(CHEMBL2348647)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCNCC2)ncc1F
Show InChI InChI=1S/C19H22FN7S/c1-12-17(28-19(21-2)24-12)16-15(20)11-23-18(26-16)25-13-4-3-5-14(10-13)27-8-6-22-7-9-27/h3-5,10-11,22H,6-9H2,1-2H3,(H,21,24)(H,23,25,26)
Affinity DataKi:  4nMAssay Description:Inhibition of human recombinant His6 tagged CDK9/CyclinT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysisMore data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50431347(CHEMBL2348650)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCNCC2)ncc1F
Show InChI InChI=1S/C20H24FN7S/c1-13-18(29-20(22-2)25-13)17-16(21)12-24-19(27-17)26-14-5-3-6-15(11-14)28-9-4-7-23-8-10-28/h3,5-6,11-12,23H,4,7-10H2,1-2H3,(H,22,25)(H,24,26,27)
Affinity DataKi:  5nMAssay Description:Inhibition of human recombinant His6 tagged CDK9/CyclinT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysisMore data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50431338(CHEMBL2348844)
Show SMILES CNc1ncc(s1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C14H14N6O2S2/c1-16-14-18-8-12(23-14)11-6-7-17-13(20-11)19-9-2-4-10(5-3-9)24(15,21)22/h2-8H,1H3,(H,16,18)(H2,15,21,22)(H,17,19,20)
Affinity DataKi:  5nMAssay Description:Inhibition of human recombinant His6 tagged CDK9/CyclinT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysisMore data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50431355(CHEMBL2348642)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCNCC2)ncc1C#N
Show InChI InChI=1S/C20H22N8S/c1-13-18(29-20(22-2)25-13)17-14(11-21)12-24-19(27-17)26-15-4-3-5-16(10-15)28-8-6-23-7-9-28/h3-5,10,12,23H,6-9H2,1-2H3,(H,22,25)(H,24,26,27)
Affinity DataKi:  5nMAssay Description:Inhibition of human recombinant His6 tagged CDK9/CyclinT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysisMore data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50443451(CHEMBL3087444)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(C)(=O)=O)ncc1C#N
Show InChI InChI=1S/C17H16N6O2S2/c1-10-15(26-17(19-2)21-10)14-11(8-18)9-20-16(23-14)22-12-5-4-6-13(7-12)27(3,24)25/h4-7,9H,1-3H3,(H,19,21)(H,20,22,23)
Affinity DataKi:  5nMAssay Description:Inhibition of CDK9/Cyclin T1 (unknown origin) by radiometric assayMore data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50570317(CHEMBL4863915)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cc(C)cc(c2)N2CCOCC2)ncc1C#N
Show InChI InChI=1S/C21H23N7OS/c1-13-8-16(10-17(9-13)28-4-6-29-7-5-28)26-20-24-12-15(11-22)18(27-20)19-14(2)25-21(23-3)30-19/h8-10,12H,4-7H2,1-3H3,(H,23,25)(H,24,26,27)
Affinity DataKi:  5nMAssay Description:Inhibition of recombinant human full length CDK9/Cyclin T1 using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate incubated for 40 mins in presen...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50570294(CHEMBL4855334)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN(C)CC2)ncc1Cl
Show InChI InChI=1S/C20H24ClN7S/c1-13-18(29-20(22-2)24-13)17-16(21)12-23-19(26-17)25-14-5-4-6-15(11-14)28-9-7-27(3)8-10-28/h4-6,11-12H,7-10H2,1-3H3,(H,22,24)(H,23,25,26)
Affinity DataKi:  5nMAssay Description:Inhibition of recombinant human full length CDK9/Cyclin T1 using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate incubated for 40 mins in presen...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50431358(CHEMBL2348638)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1C
Show InChI InChI=1S/C16H18N6O2S2/c1-9-8-19-15(21-11-5-4-6-12(7-11)26(17,23)24)22-13(9)14-10(2)20-16(18-3)25-14/h4-8H,1-3H3,(H,18,20)(H2,17,23,24)(H,19,21,22)
Affinity DataKi:  5nMAssay Description:Inhibition of human recombinant His6 tagged CDK9/CyclinT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysisMore data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50425011(CHEMBL2312182)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)[N+]([O-])=O)ncc1C#N
Show InChI InChI=1S/C16H13N7O2S/c1-9-14(26-16(18-2)20-9)13-10(7-17)8-19-15(22-13)21-11-4-3-5-12(6-11)23(24)25/h3-6,8H,1-2H3,(H,18,20)(H,19,21,22)
Affinity DataKi:  6nMAssay Description:Inhibition of human recombinant His6 tagged CDK9/CyclinT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysisMore data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50425010(CHEMBL2312183)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1C#N
Show InChI InChI=1S/C16H15N7O2S2/c1-9-14(26-16(19-2)21-9)13-10(7-17)8-20-15(23-13)22-11-4-3-5-12(6-11)27(18,24)25/h3-6,8H,1-2H3,(H,19,21)(H2,18,24,25)(H,20,22,23)
Affinity DataKi:  6nMAssay Description:Inhibition of human recombinant His6 tagged CDK9/CyclinT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysisMore data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50431353(CHEMBL2348644)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)N2CCNCC2)ncc1C#N
Show InChI InChI=1S/C20H22N8S/c1-13-18(29-20(22-2)25-13)17-14(11-21)12-24-19(27-17)26-15-3-5-16(6-4-15)28-9-7-23-8-10-28/h3-6,12,23H,7-10H2,1-2H3,(H,22,25)(H,24,26,27)
Affinity DataKi:  6nMAssay Description:Inhibition of human recombinant His6 tagged CDK9/CyclinT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysisMore data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50425010(CHEMBL2312183)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1C#N
Show InChI InChI=1S/C16H15N7O2S2/c1-9-14(26-16(19-2)21-9)13-10(7-17)8-20-15(23-13)22-11-4-3-5-12(6-11)27(18,24)25/h3-6,8H,1-2H3,(H,19,21)(H2,18,24,25)(H,20,22,23)
Affinity DataKi:  6nMAssay Description:Inhibition of CDK9/Cyclin T (1 to 330 amino acid residues) (unknown origin) by differential scanning fluorimetry assayMore data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50570316(CHEMBL4864851)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cc(C)cc(c2)N2CCNCC2)ncc1C#N
Show InChI InChI=1S/C21H24N8S/c1-13-8-16(10-17(9-13)29-6-4-24-5-7-29)27-20-25-12-15(11-22)18(28-20)19-14(2)26-21(23-3)30-19/h8-10,12,24H,4-7H2,1-3H3,(H,23,26)(H,25,27,28)
Affinity DataKi:  6nMAssay Description:Inhibition of recombinant human full length CDK9/Cyclin T1 using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate incubated for 40 mins in presen...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50425011(CHEMBL2312182)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)[N+]([O-])=O)ncc1C#N
Show InChI InChI=1S/C16H13N7O2S/c1-9-14(26-16(18-2)20-9)13-10(7-17)8-19-15(22-13)21-11-4-3-5-12(6-11)23(24)25/h3-6,8H,1-2H3,(H,18,20)(H,19,21,22)
Affinity DataKi:  6nMAssay Description:Inhibition of CDK9/Cyclin T (1 to 330 amino acid residues) (unknown origin) by differential scanning fluorimetry assayMore data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50570314(CHEMBL4847048)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCCCC2)ncc1C#N
Show InChI InChI=1S/C22H25N7S/c1-15-20(30-22(24-2)26-15)19-16(13-23)14-25-21(28-19)27-17-8-7-9-18(12-17)29-10-5-3-4-6-11-29/h7-9,12,14H,3-6,10-11H2,1-2H3,(H,24,26)(H,25,27,28)
Affinity DataKi:  6nMAssay Description:Inhibition of recombinant human full length CDK9/Cyclin T1 using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate incubated for 40 mins in presen...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50431346(CHEMBL2348651)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCN(CC2)C(C)=O)ncc1C#N
Show InChI InChI=1S/C23H26N8OS/c1-15-21(33-23(25-3)27-15)20-17(13-24)14-26-22(29-20)28-18-6-4-7-19(12-18)31-9-5-8-30(10-11-31)16(2)32/h4,6-7,12,14H,5,8-11H2,1-3H3,(H,25,27)(H,26,28,29)
Affinity DataKi:  7nMAssay Description:Inhibition of human recombinant His6 tagged CDK9/CyclinT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysisMore data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50431356(CHEMBL2348641)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN(CC2)C(C)=O)ncc1C#N
Show InChI InChI=1S/C22H24N8OS/c1-14-20(32-22(24-3)26-14)19-16(12-23)13-25-21(28-19)27-17-5-4-6-18(11-17)30-9-7-29(8-10-30)15(2)31/h4-6,11,13H,7-10H2,1-3H3,(H,24,26)(H,25,27,28)
Affinity DataKi:  7nMAssay Description:Inhibition of human recombinant His6 tagged CDK9/CyclinT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysisMore data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50431351(CHEMBL2348646)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN(CC2)C(C)=O)ncc1F
Show InChI InChI=1S/C21H24FN7OS/c1-13-19(31-21(23-3)25-13)18-17(22)12-24-20(27-18)26-15-5-4-6-16(11-15)29-9-7-28(8-10-29)14(2)30/h4-6,11-12H,7-10H2,1-3H3,(H,23,25)(H,24,26,27)
Affinity DataKi:  7nMAssay Description:Inhibition of human recombinant His6 tagged CDK9/CyclinT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysisMore data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50570301(CHEMBL4868287)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN(CC2)S(C)(=O)=O)ncc1C
Show InChI InChI=1S/C21H27N7O2S2/c1-14-13-23-20(26-18(14)19-15(2)24-21(22-3)31-19)25-16-6-5-7-17(12-16)27-8-10-28(11-9-27)32(4,29)30/h5-7,12-13H,8-11H2,1-4H3,(H,22,24)(H,23,25,26)
Affinity DataKi:  7nMAssay Description:Inhibition of recombinant human full length CDK9/Cyclin T1 using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate incubated for 40 mins in presen...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50425008(CHEMBL2312185)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCNCC2)ncc1C#N
Show InChI InChI=1S/C21H24N8S/c1-14-19(30-21(23-2)26-14)18-15(12-22)13-25-20(28-18)27-16-5-3-6-17(11-16)29-9-4-7-24-8-10-29/h3,5-6,11,13,24H,4,7-10H2,1-2H3,(H,23,26)(H,25,27,28)
Affinity DataKi:  7nMAssay Description:Inhibition of CDK9/Cyclin T (1 to 330 amino acid residues) (unknown origin) by differential scanning fluorimetry assayMore data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50443453(CHEMBL3087447)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN(C)CC2)ncc1F
Show InChI InChI=1S/C20H24FN7S/c1-13-18(29-20(22-2)24-13)17-16(21)12-23-19(26-17)25-14-5-4-6-15(11-14)28-9-7-27(3)8-10-28/h4-6,11-12H,7-10H2,1-3H3,(H,22,24)(H,23,25,26)
Affinity DataKi:  7nMAssay Description:Inhibition of CDK9/Cyclin T1 (unknown origin) by radiometric assayMore data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

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 DataKi:  7nMAssay Description:Inhibition of CDK9/Cyclin T (1 to 330 amino acid residues) (unknown origin) by differential scanning fluorimetry assayMore data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50425009(CHEMBL2312184)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(CC(=O)N3CCCNCC3)c2)ncc1C#N
Show InChI InChI=1S/C23H26N8OS/c1-15-21(33-23(25-2)28-15)20-17(13-24)14-27-22(30-20)29-18-6-3-5-16(11-18)12-19(32)31-9-4-7-26-8-10-31/h3,5-6,11,14,26H,4,7-10,12H2,1-2H3,(H,25,28)(H,27,29,30)
Affinity DataKi:  7nMAssay Description:Inhibition of CDK9/Cyclin T (1 to 330 amino acid residues) (unknown origin) by differential scanning fluorimetry assayMore data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50570308(CHEMBL4863865)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN(CC2)C(C)=O)ncc1Br
Show InChI InChI=1S/C21H24BrN7OS/c1-13-19(31-21(23-3)25-13)18-17(22)12-24-20(27-18)26-15-5-4-6-16(11-15)29-9-7-28(8-10-29)14(2)30/h4-6,11-12H,7-10H2,1-3H3,(H,23,25)(H,24,26,27)
Affinity DataKi:  7.5nMAssay Description:Inhibition of recombinant human full length CDK9/Cyclin T1 using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate incubated for 40 mins in presen...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50425007(CHEMBL2312186)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)ncc1C#N
Show InChI InChI=1S/C20H21N7O3S2/c1-13-18(31-20(22-2)24-13)17-14(11-21)12-23-19(26-17)25-15-3-5-16(6-4-15)32(28,29)27-7-9-30-10-8-27/h3-6,12H,7-10H2,1-2H3,(H,22,24)(H,23,25,26)
Affinity DataKi:  8nMAssay Description:Inhibition of CDK9/Cyclin T (1 to 330 amino acid residues) (unknown origin) by differential scanning fluorimetry assayMore data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50425006(CHEMBL2312187)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C#N
Show InChI InChI=1S/C16H15N7O2S2/c1-9-14(26-16(19-2)21-9)13-10(7-17)8-20-15(23-13)22-11-3-5-12(6-4-11)27(18,24)25/h3-6,8H,1-2H3,(H,19,21)(H2,18,24,25)(H,20,22,23)
Affinity DataKi:  8nMAssay Description:Inhibition of CDK9/Cyclin T (1 to 330 amino acid residues) (unknown origin) by differential scanning fluorimetry assayMore data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50431335(CHEMBL2348847)
Show SMILES CNc1nc(C2CC2)c(s1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C17H18N6O2S2/c1-19-17-23-14(10-2-3-10)15(26-17)13-8-9-20-16(22-13)21-11-4-6-12(7-5-11)27(18,24)25/h4-10H,2-3H2,1H3,(H,19,23)(H2,18,24,25)(H,20,21,22)
Affinity DataKi:  8nMAssay Description:Inhibition of human recombinant His6 tagged CDK9/CyclinT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysisMore data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50443457(CHEMBL3087433)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)C(=O)NC2CCN(C)CC2)ncc1C#N
Show InChI InChI=1S/C23H26N8OS/c1-14-20(33-23(25-2)27-14)19-16(12-24)13-26-22(30-19)29-17-6-4-15(5-7-17)21(32)28-18-8-10-31(3)11-9-18/h4-7,13,18H,8-11H2,1-3H3,(H,25,27)(H,28,32)(H,26,29,30)
Affinity DataKi:  8nMAssay Description:Inhibition of CDK9/Cyclin T1 (unknown origin) by radiometric assayMore data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50570302(CHEMBL4853628)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCNCC2)ncc1C
Show InChI InChI=1S/C21H27N7S/c1-14-13-24-20(27-18(14)19-15(2)25-21(22-3)29-19)26-16-6-4-7-17(12-16)28-10-5-8-23-9-11-28/h4,6-7,12-13,23H,5,8-11H2,1-3H3,(H,22,25)(H,24,26,27)
Affinity DataKi:  8nMAssay Description:Inhibition of recombinant human full length CDK9/Cyclin T1 using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate incubated for 40 mins in presen...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50570309(CHEMBL4868954)
Show SMILES CNc1nc(c(s1)-c1ccnc(Nc2cccc(c2)N2CCCNCC2)n1)C(F)(F)F
Show InChI InChI=1S/C20H22F3N7S/c1-24-19-29-17(20(21,22)23)16(31-19)15-6-8-26-18(28-15)27-13-4-2-5-14(12-13)30-10-3-7-25-9-11-30/h2,4-6,8,12,25H,3,7,9-11H2,1H3,(H,24,29)(H,26,27,28)
Affinity DataKi:  8nMAssay Description:Inhibition of recombinant human full length CDK9/Cyclin T1 using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate incubated for 40 mins in presen...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50570299(CHEMBL4879020)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCNCC2)ncc1C
Show InChI InChI=1S/C20H25N7S/c1-13-12-23-19(26-17(13)18-14(2)24-20(21-3)28-18)25-15-5-4-6-16(11-15)27-9-7-22-8-10-27/h4-6,11-12,22H,7-10H2,1-3H3,(H,21,24)(H,23,25,26)
Affinity DataKi:  8nMAssay Description:Inhibition of recombinant human full length CDK9/Cyclin T1 using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate incubated for 40 mins in presen...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
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