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Compile Data Set for Download or QSAR

Found 1115 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 9'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM120943
PNG
(US8716296, 89)
Show SMILES COc1ccc(F)cc1-c1cc(NC(=O)COc2ccc(Cl)cn2)ncn1
Show InChI InChI=1S/C18H14ClFN4O3/c1-26-15-4-3-12(20)6-13(15)14-7-16(23-10-22-14)24-17(25)9-27-18-5-2-11(19)8-21-18/h2-8,10H,9H2,1H3,(H,22,23,24,25)
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US Patent
n/an/a 0.00500n/an/an/an/an/an/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


US Patent US8716296 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM120941
PNG
(US8716296, 82)
Show SMILES COc1ccc(F)cc1-c1cc(NC(=O)Cc2cccnc2)ncn1
Show InChI InChI=1S/C18H15FN4O2/c1-25-16-5-4-13(19)8-14(16)15-9-17(22-11-21-15)23-18(24)7-12-3-2-6-20-10-12/h2-6,8-11H,7H2,1H3,(H,21,22,23,24)
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n/an/a 0.0150n/an/an/an/an/an/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


US Patent US8716296 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM120934
PNG
(US8716296, 2)
Show SMILES COc1ccc(F)cc1-c1cc(NC(=O)C2CCCNC2)ncn1
Show InChI InChI=1S/C17H19FN4O2/c1-24-15-5-4-12(18)7-13(15)14-8-16(21-10-20-14)22-17(23)11-3-2-6-19-9-11/h4-5,7-8,10-11,19H,2-3,6,9H2,1H3,(H,20,21,22,23)
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n/an/a 0.0180n/an/an/an/an/an/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


US Patent US8716296 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM120936
PNG
(US8716296, 5 | US8716296, 6)
Show SMILES COc1ccccc1-c1cc(NC(=O)C2CCC(=O)NC2)ncn1
Show InChI InChI=1S/C17H18N4O3/c1-24-14-5-3-2-4-12(14)13-8-15(20-10-19-13)21-17(23)11-6-7-16(22)18-9-11/h2-5,8,10-11H,6-7,9H2,1H3,(H,18,22)(H,19,20,21,23)
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n/an/a 0.0190n/an/an/an/an/an/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


US Patent US8716296 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM120942
PNG
(US8716296, 83)
Show SMILES COc1ccc(F)cc1-c1cc(NC(=O)Cc2ccncc2)ncn1
Show InChI InChI=1S/C18H15FN4O2/c1-25-16-3-2-13(19)9-14(16)15-10-17(22-11-21-15)23-18(24)8-12-4-6-20-7-5-12/h2-7,9-11H,8H2,1H3,(H,21,22,23,24)
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n/an/a 0.0290n/an/an/an/an/an/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


US Patent US8716296 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM120935
PNG
(US8716296, 3)
Show SMILES COc1cccc(F)c1-c1cc(NC(=O)C2CCCNC2)ncn1
Show InChI InChI=1S/C17H19FN4O2/c1-24-14-6-2-5-12(18)16(14)13-8-15(21-10-20-13)22-17(23)11-4-3-7-19-9-11/h2,5-6,8,10-11,19H,3-4,7,9H2,1H3,(H,20,21,22,23)
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n/an/a 0.0390n/an/an/an/an/an/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


US Patent US8716296 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM120939
PNG
(US8716296, 52)
Show SMILES COc1ccccc1-c1cc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)ncn1
Show InChI InChI=1S/C20H20N4O4S/c1-13-8-9-14(10-16(13)24-29(3,26)27)20(25)23-19-11-17(21-12-22-19)15-6-4-5-7-18(15)28-2/h4-12,24H,1-3H3,(H,21,22,23,25)
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n/an/a 0.116n/an/an/an/an/an/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


US Patent US8716296 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM120936
PNG
(US8716296, 5 | US8716296, 6)
Show SMILES COc1ccccc1-c1cc(NC(=O)C2CCC(=O)NC2)ncn1
Show InChI InChI=1S/C17H18N4O3/c1-24-14-5-3-2-4-12(14)13-8-15(20-10-19-13)21-17(23)11-6-7-16(22)18-9-11/h2-5,8,10-11H,6-7,9H2,1H3,(H,18,22)(H,19,20,21,23)
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n/an/a 0.173n/an/an/an/an/an/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


US Patent US8716296 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM180827
PNG
(US9133171, 32)
Show SMILES COc1cc(CS(C)(=O)=NC#N)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
Show InChI InChI=1/C21H19F2N5O3S/c1-30-16-7-13(11-32(3,29)26-12-24)6-15(9-16)27-21-25-10-18(23)20(28-21)17-5-4-14(22)8-19(17)31-2/h4-10H,11H2,1-3H3,(H,25,27,28)
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n/an/a 1n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


US Patent US9133171 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM120940
PNG
(US8716296, 53)
Show SMILES COc1ccccc1-c1cc(NC(=O)c2cccc(NS(C)(=O)=O)c2)ncn1
Show InChI InChI=1S/C19H18N4O4S/c1-27-17-9-4-3-8-15(17)16-11-18(21-12-20-16)22-19(24)13-6-5-7-14(10-13)23-28(2,25)26/h3-12,23H,1-2H3,(H,20,21,22,24)
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n/an/a 1.08n/an/an/an/an/an/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


US Patent US8716296 (2014)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM120938
PNG
(US8716296, 51)
Show SMILES COc1ccccc1-c1cc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)ncn1
Show InChI InChI=1S/C19H18N4O4S/c1-27-17-6-4-3-5-15(17)16-11-18(21-12-20-16)22-19(24)13-7-9-14(10-8-13)23-28(2,25)26/h3-12,23H,1-2H3,(H,20,21,22,24)
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n/an/a 1.25n/an/an/an/an/an/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


US Patent US8716296 (2014)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM25036
PNG
(CHEMBL393525 | N'-[(1E)-{6-bromoimidazo[1,2-a]pyri...)
Show SMILES CN(\N=C\c1cnc2ccc(Br)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+
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n/an/a 1.40n/an/an/an/an/an/a



The University of Melbourne

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CDK9/cyclin-T1 using H-YSPTSPSYSPTSPSYSPTSPS-KKKK-OH as substrate after 90 mins by luminescence assay


Bioorg Med Chem 23: 6280-96 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM167858
PNG
(US9073922, 355)
Show SMILES Fc1cccc(CNc2nc(c(F)cc2F)-c2ccnc3[nH]c(cc23)C2CCNCC2)c1
Show InChI InChI=1S/C24H22F3N5/c25-16-3-1-2-14(10-16)13-30-24-20(27)12-19(26)22(32-24)17-6-9-29-23-18(17)11-21(31-23)15-4-7-28-8-5-15/h1-3,6,9-12,15,28H,4-5,7-8,13H2,(H,29,31)(H,30,32)
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n/an/a 2n/an/an/an/an/an/a



AbbVie, Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...


US Patent US9073922 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM180843
PNG
(US9133171, 48)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cccc(CS(=O)(=NC#N)C3CC3)c2)ncc1F
Show InChI InChI=1/C22H19F2N5O2S/c1-31-20-10-15(23)5-8-18(20)21-19(24)11-26-22(29-21)28-16-4-2-3-14(9-16)12-32(30,27-13-25)17-6-7-17/h2-5,8-11,17H,6-7,12H2,1H3,(H,26,28,29)
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n/an/a 2n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


US Patent US9133171 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM167860
PNG
(US9073922, 357)
Show SMILES OCC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cncc(OCc2cccc(F)c2)n1
Show InChI InChI=1S/C25H22FN5O3/c26-18-3-1-2-16(10-18)15-34-23-13-27-12-22(29-23)19-4-7-28-25-20(19)11-21(30-25)17-5-8-31(9-6-17)24(33)14-32/h1-5,7,10-13,32H,6,8-9,14-15H2,(H,28,30)
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n/an/a 2n/an/an/an/an/an/a



AbbVie, Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...


US Patent US9073922 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM180851
PNG
(US9133171, 56)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(Cl)cc(CS(C)(=O)=NC#N)c2)ncc1F
Show InChI InChI=1/C20H16ClF2N5O2S/c1-30-18-8-14(22)3-4-16(18)19-17(23)9-25-20(28-19)27-15-6-12(5-13(21)7-15)10-31(2,29)26-11-24/h3-9H,10H2,1-2H3,(H,25,27,28)
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n/an/a 2n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


US Patent US9133171 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM180853
PNG
(US9133171, 58)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(C)cc(CS(C)(=O)=NC#N)c2)ncc1F
Show InChI InChI=1/C21H19F2N5O2S/c1-13-6-14(11-31(3,29)26-12-24)8-16(7-13)27-21-25-10-18(23)20(28-21)17-5-4-15(22)9-19(17)30-2/h4-10H,11H2,1-3H3,(H,25,27,28)
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n/an/a 2n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


US Patent US9133171 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM180819
PNG
(US9133171, 24)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(F)c(F)c(CS(C)(=O)=NC#N)c2)ncc1F
Show InChI InChI=1/C20H15F4N5O2S/c1-31-17-6-12(21)3-4-14(17)19-16(23)8-26-20(29-19)28-13-5-11(18(24)15(22)7-13)9-32(2,30)27-10-25/h3-8H,9H2,1-2H3,(H,26,28,29)
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n/an/a 2n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


US Patent US9133171 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM180799
PNG
(US9133171, 13 | US9133171, 14 | US9133171, 4)
Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OCc2ccccc2)c1
Show InChI InChI=1/C25H22F2N4O2S/c1-34(28,32)16-18-8-5-9-20(12-18)30-25-29-14-22(27)24(31-25)21-11-10-19(26)13-23(21)33-15-17-6-3-2-4-7-17/h2-14,28H,15-16H2,1H3,(H,29,30,31)
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n/an/a 2n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


US Patent US9133171 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM180823
PNG
(US9133171, 28)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(Br)cc(CS(C)(=O)=NC#N)c2)ncc1F
Show InChI InChI=1/C20H16BrF2N5O2S/c1-30-18-8-14(22)3-4-16(18)19-17(23)9-25-20(28-19)27-15-6-12(5-13(21)7-15)10-31(2,29)26-11-24/h3-9H,10H2,1-2H3,(H,25,27,28)
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Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


US Patent US9133171 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM180824
PNG
(US9133171, 29 | US9133171, 30 | US9133171, 31)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(Br)cc(CS(C)(=N)=O)c2)ncc1F
Show InChI InChI=1/C19H17BrF2N4O2S/c1-28-17-8-13(21)3-4-15(17)18-16(22)9-24-19(26-18)25-14-6-11(5-12(20)7-14)10-29(2,23)27/h3-9,23H,10H2,1-2H3,(H,24,25,26)
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n/an/a 2n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


US Patent US9133171 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM180824
PNG
(US9133171, 29 | US9133171, 30 | US9133171, 31)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(Br)cc(CS(C)(=N)=O)c2)ncc1F
Show InChI InChI=1/C19H17BrF2N4O2S/c1-28-17-8-13(21)3-4-15(17)18-16(22)9-24-19(26-18)25-14-6-11(5-12(20)7-14)10-29(2,23)27/h3-9,23H,10H2,1-2H3,(H,24,25,26)
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n/an/a 2n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


US Patent US9133171 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM167859
PNG
(US9073922, 356)
Show SMILES CNC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cncc(OCc2cccc(F)c2)n1
Show InChI InChI=1S/C25H23FN6O2/c1-27-25(33)32-9-6-17(7-10-32)21-12-20-19(5-8-29-24(20)31-21)22-13-28-14-23(30-22)34-15-16-3-2-4-18(26)11-16/h2-6,8,11-14H,7,9-10,15H2,1H3,(H,27,33)(H,29,31)
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n/an/a 2n/an/an/an/an/an/a



AbbVie, Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...


US Patent US9073922 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM180815
PNG
(US9133171, 20)
Show SMILES CCS(=O)(Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1)=NC#N
Show InChI InChI=1/C21H19F2N5O2S/c1-3-31(29,26-13-24)12-14-5-4-6-16(9-14)27-21-25-11-18(23)20(28-21)17-8-7-15(22)10-19(17)30-2/h4-11H,3,12H2,1-2H3,(H,25,27,28)
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n/an/a 2n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


US Patent US9133171 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM180824
PNG
(US9133171, 29 | US9133171, 30 | US9133171, 31)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(Br)cc(CS(C)(=N)=O)c2)ncc1F
Show InChI InChI=1/C19H17BrF2N4O2S/c1-28-17-8-13(21)3-4-15(17)18-16(22)9-24-19(26-18)25-14-6-11(5-12(20)7-14)10-29(2,23)27/h3-9,23H,10H2,1-2H3,(H,24,25,26)
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n/an/a 2n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


US Patent US9133171 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM180836
PNG
(US9133171, 41)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=N)=O)cc(c2)C(F)(F)F)ncc1F
Show InChI InChI=1/C20H17F5N4O2S/c1-31-17-8-13(21)3-4-15(17)18-16(22)9-27-19(29-18)28-14-6-11(10-32(2,26)30)5-12(7-14)20(23,24)25/h3-9,26H,10H2,1-2H3,(H,27,28,29)
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n/an/a 2n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


US Patent US9133171 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM180837
PNG
(US9133171, 42)
Show SMILES CCS(=O)(Cc1cc(F)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1)=NC#N
Show InChI InChI=1/C21H18F3N5O2S/c1-3-32(30,27-12-25)11-13-6-15(23)8-16(7-13)28-21-26-10-18(24)20(29-21)17-5-4-14(22)9-19(17)31-2/h4-10H,3,11H2,1-2H3,(H,26,28,29)
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n/an/a 2n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


US Patent US9133171 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM50186373
PNG
(CHEMBL424696 | N-(5-(2-(cyclohexyloxy)pyrimidin-4-...)
Show SMILES C1CCC(CC1)Oc1nccc(n1)-c1cnc(Nc2ccccn2)s1
Show InChI InChI=1S/C18H19N5OS/c1-2-6-13(7-3-1)24-17-20-11-9-14(22-17)15-12-21-18(25-15)23-16-8-4-5-10-19-16/h4-5,8-13H,1-3,6-7H2,(H,19,21,23)
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Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK9


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM180859
PNG
(US9133171, 64)
Show SMILES COCCOC(=O)N=S(C)(=O)Cc1cc(F)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
Show InChI InChI=1/C23H23F3N4O5S/c1-33-6-7-35-23(31)30-36(3,32)13-14-8-16(25)10-17(9-14)28-22-27-12-19(26)21(29-22)18-5-4-15(24)11-20(18)34-2/h4-5,8-12H,6-7,13H2,1-3H3,(H,27,28,29)
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n/an/a 3n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


US Patent US9133171 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM180836
PNG
(US9133171, 41)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=N)=O)cc(c2)C(F)(F)F)ncc1F
Show InChI InChI=1/C20H17F5N4O2S/c1-31-17-8-13(21)3-4-15(17)18-16(22)9-27-19(29-18)28-14-6-11(10-32(2,26)30)5-12(7-14)20(23,24)25/h3-9,26H,10H2,1-2H3,(H,27,28,29)
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n/an/a 3n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


US Patent US9133171 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM180856
PNG
(US9133171, 61 | US9133171, 62 | US9133171, 63)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=N)=O)cc(c2)S(F)(F)(F)(F)F)ncc1F
Show InChI InChI=1/C19H17F7N4O2S2/c1-32-17-7-12(20)3-4-15(17)18-16(21)9-28-19(30-18)29-13-5-11(10-33(2,27)31)6-14(8-13)34(22,23,24,25)26/h3-9,27H,10H2,1-2H3,(H,28,29,30)
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n/an/a 3n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


US Patent US9133171 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM180859
PNG
(US9133171, 64)
Show SMILES COCCOC(=O)N=S(C)(=O)Cc1cc(F)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
Show InChI InChI=1/C23H23F3N4O5S/c1-33-6-7-35-23(31)30-36(3,32)13-14-8-16(25)10-17(9-14)28-22-27-12-19(26)21(29-22)18-5-4-15(24)11-20(18)34-2/h4-5,8-12H,6-7,13H2,1-3H3,(H,27,28,29)
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n/an/a 3n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


US Patent US9133171 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM180853
PNG
(US9133171, 58)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(C)cc(CS(C)(=O)=NC#N)c2)ncc1F
Show InChI InChI=1/C21H19F2N5O2S/c1-13-6-14(11-31(3,29)26-12-24)8-16(7-13)27-21-25-10-18(23)20(28-21)17-5-4-15(22)9-19(17)30-2/h4-10H,11H2,1-3H3,(H,25,27,28)
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n/an/a 3n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


US Patent US9133171 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM180856
PNG
(US9133171, 61 | US9133171, 62 | US9133171, 63)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=N)=O)cc(c2)S(F)(F)(F)(F)F)ncc1F
Show InChI InChI=1/C19H17F7N4O2S2/c1-32-17-7-12(20)3-4-15(17)18-16(21)9-28-19(30-18)29-13-5-11(10-33(2,27)31)6-14(8-13)34(22,23,24,25)26/h3-9,27H,10H2,1-2H3,(H,28,29,30)
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n/an/a 3n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


US Patent US9133171 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM180828
PNG
(US9133171, 33 | US9133171, 34 | US9133171, 35)
Show SMILES COc1cc(CS(C)(=N)=O)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
Show InChI InChI=1/C20H20F2N4O3S/c1-28-15-7-12(11-30(3,23)27)6-14(9-15)25-20-24-10-17(22)19(26-20)16-5-4-13(21)8-18(16)29-2/h4-10,23H,11H2,1-3H3,(H,24,25,26)
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n/an/a 3n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


US Patent US9133171 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM180819
PNG
(US9133171, 24)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(F)c(F)c(CS(C)(=O)=NC#N)c2)ncc1F
Show InChI InChI=1/C20H15F4N5O2S/c1-31-17-6-12(21)3-4-14(17)19-16(23)8-26-20(29-19)28-13-5-11(18(24)15(22)7-13)9-32(2,30)27-10-25/h3-8H,9H2,1-2H3,(H,26,28,29)
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n/an/a 3n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


US Patent US9133171 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM180824
PNG
(US9133171, 29 | US9133171, 30 | US9133171, 31)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(Br)cc(CS(C)(=N)=O)c2)ncc1F
Show InChI InChI=1/C19H17BrF2N4O2S/c1-28-17-8-13(21)3-4-15(17)18-16(22)9-24-19(26-18)25-14-6-11(5-12(20)7-14)10-29(2,23)27/h3-9,23H,10H2,1-2H3,(H,24,25,26)
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n/an/a 3n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


US Patent US9133171 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM164883
PNG
(US9067888, 33)
Show SMILES COc1cc(F)ccc1-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)c1
Show InChI InChI=1/C21H24FN3O3/c1-13(26)24-17-5-3-4-15(10-17)21(27)25-20-11-14(8-9-23-20)18-7-6-16(22)12-19(18)28-2/h6-9,11-12,15,17H,3-5,10H2,1-2H3,(H,24,26)(H,23,25,27)/t15-,17+/s2
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
In vitro kinase assay analysis may be performed using standard techniques described in the art. These techniques are also used by commercial services...


US Patent US9067888 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM180812
PNG
(US9133171, 17 | US9133171, 18 | US9133171, 19)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cccc(CS(C)(=O)=NC#N)c2)ncc1F
Show InChI InChI=1/C20H17F2N5O2S/c1-29-18-9-14(21)6-7-16(18)19-17(22)10-24-20(27-19)26-15-5-3-4-13(8-15)11-30(2,28)25-12-23/h3-10H,11H2,1-2H3,(H,24,26,27)
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n/an/a 3n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


US Patent US9133171 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM180824
PNG
(US9133171, 29 | US9133171, 30 | US9133171, 31)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(Br)cc(CS(C)(=N)=O)c2)ncc1F
Show InChI InChI=1/C19H17BrF2N4O2S/c1-28-17-8-13(21)3-4-15(17)18-16(22)9-24-19(26-18)25-14-6-11(5-12(20)7-14)10-29(2,23)27/h3-9,23H,10H2,1-2H3,(H,24,25,26)
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n/an/a 3n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


US Patent US9133171 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM2579
PNG
((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
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n/an/a 3.30n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclin T1


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM167699
PNG
(US9073922, 186)
Show SMILES COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(O)CO)CC1
Show InChI InChI=1/C22H24FN3O3/c1-29-21-3-2-15(23)10-18(21)17-4-7-24-22-19(17)11-20(25-22)14-5-8-26(9-6-14)12-16(28)13-27/h2-5,7,10-11,16,27-28H,6,8-9,12-13H2,1H3,(H,24,25)
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n/an/a 4n/an/an/an/an/an/a



AbbVie, Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...


US Patent US9073922 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM180835
PNG
(US9133171, 40)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=O)=NC#N)cc(c2)C(F)(F)F)ncc1F
Show InChI InChI=1/C21H16F5N5O2S/c1-33-18-8-14(22)3-4-16(18)19-17(23)9-28-20(31-19)30-15-6-12(10-34(2,32)29-11-27)5-13(7-15)21(24,25)26/h3-9H,10H2,1-2H3,(H,28,30,31)
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n/an/a 4n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


US Patent US9133171 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM180845
PNG
(US9133171, 50)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(F)cc(CS(=O)(=NC#N)C3CC3)c2)ncc1F
Show InChI InChI=1/C22H18F3N5O2S/c1-32-20-9-14(23)2-5-18(20)21-19(25)10-27-22(30-21)29-16-7-13(6-15(24)8-16)11-33(31,28-12-26)17-3-4-17/h2,5-10,17H,3-4,11H2,1H3,(H,27,29,30)
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n/an/a 4n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


US Patent US9133171 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM180850
PNG
(US9133171, 55)
Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OCc2ccc(F)cc2)c1
Show InChI InChI=1/C25H21F3N4O2S/c1-35(29,33)15-17-3-2-4-20(11-17)31-25-30-13-22(28)24(32-25)21-10-9-19(27)12-23(21)34-14-16-5-7-18(26)8-6-16/h2-13,29H,14-15H2,1H3,(H,30,31,32)
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n/an/a 4n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


US Patent US9133171 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM180820
PNG
(US9133171, 25 | US9133171, 26 | US9133171, 27)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(F)c(F)c(CS(C)(=N)=O)c2)ncc1F
Show InChI InChI=1/C19H16F4N4O2S/c1-29-16-6-11(20)3-4-13(16)18-15(22)8-25-19(27-18)26-12-5-10(9-30(2,24)28)17(23)14(21)7-12/h3-8,24H,9H2,1-2H3,(H,25,26,27)
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n/an/a 4n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


US Patent US9133171 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM180838
PNG
(US9133171, 43 | US9133171, 44 | US9133171, 45)
Show SMILES CCS(=N)(=O)Cc1cc(F)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
Show InChI InChI=1/C20H19F3N4O2S/c1-3-30(24,28)11-12-6-14(22)8-15(7-12)26-20-25-10-17(23)19(27-20)16-5-4-13(21)9-18(16)29-2/h4-10,24H,3,11H2,1-2H3,(H,25,26,27)
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n/an/a 4n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


US Patent US9133171 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM180851
PNG
(US9133171, 56)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(Cl)cc(CS(C)(=O)=NC#N)c2)ncc1F
Show InChI InChI=1/C20H16ClF2N5O2S/c1-30-18-8-14(22)3-4-16(18)19-17(23)9-25-20(28-19)27-15-6-12(5-13(21)7-15)10-31(2,29)26-11-24/h3-9H,10H2,1-2H3,(H,25,27,28)
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n/an/a 4n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


US Patent US9133171 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM5931
PNG
(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)
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n/an/a 4n/an/an/an/an/an/a



Sunesis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin T (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM50246466
PNG
((3R,5S)-N-(5-((5-tert-butyloxazol-2-yl)methylthio)...)
Show SMILES C[C@@H]1CNC[C@@H](C1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
Show InChI InChI=1S/C18H26N4O2S2/c1-11-5-12(7-19-6-11)16(23)22-17-21-9-15(26-17)25-10-14-20-8-13(24-14)18(2,3)4/h8-9,11-12,19H,5-7,10H2,1-4H3,(H,21,22,23)/t11-,12+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Sunesis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin T (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
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