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Compile Data Set for Download or QSAR

Found 41 hits of ic50 for UniProtKB: A0A024R6K1   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-K


(Homo sapiens (Human))
BDBM50466226
PNG
(CHEMBL4293213)
Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3CCOCC3)n2)c(Cl)cn1
Show InChI InChI=1S/C23H34ClN5O2S/c1-30-11-8-25-17-2-4-18(5-3-17)28-22-12-19(20(24)14-26-22)21-15-32-23(29-21)27-13-16-6-9-31-10-7-16/h12,14-18,25H,2-11,13H2,1H3,(H,26,28)(H,27,29)/t17-,18-
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n/an/a 2n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...


Eur J Med Chem 158: 896-916 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.025
BindingDB Entry DOI: 10.7270/Q2DJ5J9D
More data for this
Ligand-Target Pair
Cyclin-K


(Homo sapiens (Human))
BDBM50466217
PNG
(CHEMBL4287416)
Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCc3ccc(F)cc3)n2)c(Cl)cn1
Show InChI InChI=1S/C24H29ClFN5OS/c1-32-11-10-27-18-6-8-19(9-7-18)30-23-12-20(21(25)14-28-23)22-15-33-24(31-22)29-13-16-2-4-17(26)5-3-16/h2-5,12,14-15,18-19,27H,6-11,13H2,1H3,(H,28,30)(H,29,31)/t18-,19-
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n/an/a 2n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...


Eur J Med Chem 158: 896-916 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.025
BindingDB Entry DOI: 10.7270/Q2DJ5J9D
More data for this
Ligand-Target Pair
Cyclin-K


(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 2.10n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human CDK9/cyclin-K using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 161: 456-467 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.052
More data for this
Ligand-Target Pair
Cyclin-K


(Homo sapiens (Human))
BDBM50363196
PNG
(CHEMBL1944698)
Show SMILES CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C23H24N4O/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26)/b3-2+
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n/an/a 3n/an/an/an/an/an/a



University of South Australia Cancer Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length His-tagged CDK9/cyclin K expressed in baculovirus expression system


J Med Chem 62: 4233-4251 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01469
More data for this
Ligand-Target Pair
Cyclin-K


(Homo sapiens (Human))
BDBM50466210
PNG
(CHEMBL4281048)
Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3(CCOCC3)C#N)n2)c(Cl)cn1
Show InChI InChI=1S/C24H33ClN6O2S/c1-32-11-8-27-17-2-4-18(5-3-17)30-22-12-19(20(25)13-28-22)21-14-34-23(31-21)29-16-24(15-26)6-9-33-10-7-24/h12-14,17-18,27H,2-11,16H2,1H3,(H,28,30)(H,29,31)/t17-,18-
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n/an/a 6n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...


Eur J Med Chem 158: 896-916 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.025
BindingDB Entry DOI: 10.7270/Q2DJ5J9D
More data for this
Ligand-Target Pair
Cyclin-K


(Homo sapiens (Human))
BDBM50466216
PNG
(CHEMBL4291684)
Show SMILES COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3(CCOCC3)C#N)n2)c(Cl)cn1
Show InChI InChI=1S/C25H35ClN6O2S/c1-17(13-33-2)30-18-3-5-19(6-4-18)31-23-11-20(21(26)12-28-23)22-14-35-24(32-22)29-16-25(15-27)7-9-34-10-8-25/h11-12,14,17-19,30H,3-10,13,16H2,1-2H3,(H,28,31)(H,29,32)/t17-,18-,19-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...


Eur J Med Chem 158: 896-916 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.025
BindingDB Entry DOI: 10.7270/Q2DJ5J9D
More data for this
Ligand-Target Pair
Cyclin-K


(Homo sapiens (Human))
BDBM50466238
PNG
(CHEMBL4277623)
Show SMILES COC[C@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3(CCOCC3)C#N)n2)c(Cl)cn1
Show InChI InChI=1S/C25H35ClN6O2S/c1-17(13-33-2)30-18-3-5-19(6-4-18)31-23-11-20(21(26)12-28-23)22-14-35-24(32-22)29-16-25(15-27)7-9-34-10-8-25/h11-12,14,17-19,30H,3-10,13,16H2,1-2H3,(H,28,31)(H,29,32)/t17-,18-,19-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...


Eur J Med Chem 158: 896-916 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.025
BindingDB Entry DOI: 10.7270/Q2DJ5J9D
More data for this
Ligand-Target Pair
Cyclin-K


(Homo sapiens (Human))
BDBM50466240
PNG
(CHEMBL4286005)
Show SMILES COCCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3CCOCC3)n2)c(Cl)cn1
Show InChI InChI=1S/C24H36ClN5O2S/c1-31-10-2-9-26-18-3-5-19(6-4-18)29-23-13-20(21(25)15-27-23)22-16-33-24(30-22)28-14-17-7-11-32-12-8-17/h13,15-19,26H,2-12,14H2,1H3,(H,27,29)(H,28,30)/t18-,19-
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n/an/a 12n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...


Eur J Med Chem 158: 896-916 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.025
BindingDB Entry DOI: 10.7270/Q2DJ5J9D
More data for this
Ligand-Target Pair
Cyclin-K


(Homo sapiens (Human))
BDBM50433369
PNG
(CHEMBL2377825)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)sc1C(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C16H13N5O5S2/c17-15-14(13(22)11-3-1-2-4-12(11)21(23)24)27-16(20-15)19-9-5-7-10(8-6-9)28(18,25)26/h1-8H,17H2,(H,19,20)(H2,18,25,26)
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n/an/a 13n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin K (unknown origin)-mediated phosphorylation of peptide substrate incubated for 15 mins prior to substrate addition measured...


J Med Chem 56: 3768-82 (2013)


Article DOI: 10.1021/jm301234k
BindingDB Entry DOI: 10.7270/Q25T3MV7
More data for this
Ligand-Target Pair
CDK9/Cyclin K


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[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 13n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin K (unknown origin)-mediated phosphorylation of peptide substrate incubated for 15 mins prior to substrate addition measured...


J Med Chem 56: 3768-82 (2013)


Article DOI: 10.1021/jm301234k
BindingDB Entry DOI: 10.7270/Q25T3MV7
More data for this
Ligand-Target Pair
Cyclin-K


(Homo sapiens (Human))
BDBM50466222
PNG
(CHEMBL4279576)
Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(SCC3CCOCC3)n2)c(Cl)cn1
Show InChI InChI=1S/C23H33ClN4O2S2/c1-29-11-8-25-17-2-4-18(5-3-17)27-22-12-19(20(24)13-26-22)21-15-32-23(28-21)31-14-16-6-9-30-10-7-16/h12-13,15-18,25H,2-11,14H2,1H3,(H,26,27)/t17-,18-
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n/an/a 14n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...


Eur J Med Chem 158: 896-916 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.025
BindingDB Entry DOI: 10.7270/Q2DJ5J9D
More data for this
Ligand-Target Pair
Cyclin-K


(Homo sapiens (Human))
BDBM50466218
PNG
(CHEMBL4278245)
Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCc3ccccc3)n2)c(Cl)cn1
Show InChI InChI=1S/C24H30ClN5OS/c1-31-12-11-26-18-7-9-19(10-8-18)29-23-13-20(21(25)15-27-23)22-16-32-24(30-22)28-14-17-5-3-2-4-6-17/h2-6,13,15-16,18-19,26H,7-12,14H2,1H3,(H,27,29)(H,28,30)/t18-,19-
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n/an/a 14n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...


Eur J Med Chem 158: 896-916 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.025
BindingDB Entry DOI: 10.7270/Q2DJ5J9D
More data for this
Ligand-Target Pair
Cyclin-K


(Homo sapiens (Human))
BDBM50466221
PNG
(CHEMBL4281710)
Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC(F)(F)F)n2)c(Cl)cn1
Show InChI InChI=1S/C19H25ClF3N5OS/c1-29-7-6-24-12-2-4-13(5-3-12)27-17-8-14(15(20)9-25-17)16-10-30-18(28-16)26-11-19(21,22)23/h8-10,12-13,24H,2-7,11H2,1H3,(H,25,27)(H,26,28)/t12-,13-
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n/an/a 17n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...


Eur J Med Chem 158: 896-916 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.025
BindingDB Entry DOI: 10.7270/Q2DJ5J9D
More data for this
Ligand-Target Pair
Cyclin-K


(Homo sapiens (Human))
BDBM50466235
PNG
(CHEMBL4282838)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3CCOCC3)n2)c(Cl)cn1
Show InChI InChI=1S/C20H28ClN5OS/c21-17-11-23-19(25-15-3-1-14(22)2-4-15)9-16(17)18-12-28-20(26-18)24-10-13-5-7-27-8-6-13/h9,11-15H,1-8,10,22H2,(H,23,25)(H,24,26)/t14-,15-
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n/an/a 22n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...


Eur J Med Chem 158: 896-916 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.025
BindingDB Entry DOI: 10.7270/Q2DJ5J9D
More data for this
Ligand-Target Pair
Cyclin-K


(Homo sapiens (Human))
BDBM50466219
PNG
(CHEMBL4293383)
Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3CCCCC3)n2)c(Cl)cn1
Show InChI InChI=1S/C24H36ClN5OS/c1-31-12-11-26-18-7-9-19(10-8-18)29-23-13-20(21(25)15-27-23)22-16-32-24(30-22)28-14-17-5-3-2-4-6-17/h13,15-19,26H,2-12,14H2,1H3,(H,27,29)(H,28,30)/t18-,19-
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n/an/a 27n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...


Eur J Med Chem 158: 896-916 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.025
BindingDB Entry DOI: 10.7270/Q2DJ5J9D
More data for this
Ligand-Target Pair
Cyclin-K


(Homo sapiens (Human))
BDBM50466212
PNG
(CHEMBL4287488)
Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(OCC3CCOCC3)n2)c(Cl)cn1
Show InChI InChI=1S/C23H33ClN4O3S/c1-29-11-8-25-17-2-4-18(5-3-17)27-22-12-19(20(24)13-26-22)21-15-32-23(28-21)31-14-16-6-9-30-10-7-16/h12-13,15-18,25H,2-11,14H2,1H3,(H,26,27)/t17-,18-
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n/an/a 28n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...


Eur J Med Chem 158: 896-916 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.025
BindingDB Entry DOI: 10.7270/Q2DJ5J9D
More data for this
Ligand-Target Pair
Cyclin-K


(Homo sapiens (Human))
BDBM50270298
PNG
(CHEMBL4075720)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sccc34)cc2)CC1
Show InChI InChI=1S/C22H24N8OS/c1-29-7-9-30(10-8-29)13-15-2-4-16(5-3-15)26-21(31)19-18(12-25-28-19)27-20-17-6-11-32-22(17)24-14-23-20/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,28)(H,26,31)(H,23,24,27)
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n/an/a 39n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK9/Cyclin K using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate preincubated for 20 mins followed by [gamma-33P]-ATP add...


J Med Chem 61: 1499-1518 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01261
BindingDB Entry DOI: 10.7270/Q2FR003K
More data for this
Ligand-Target Pair
Cyclin-K


(Homo sapiens (Human))
BDBM50466225
PNG
(CHEMBL4278079)
Show SMILES CCOCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3CCOCC3)n2)c(Cl)cn1
Show InChI InChI=1S/C24H36ClN5O2S/c1-2-31-12-9-26-18-3-5-19(6-4-18)29-23-13-20(21(25)15-27-23)22-16-33-24(30-22)28-14-17-7-10-32-11-8-17/h13,15-19,26H,2-12,14H2,1H3,(H,27,29)(H,28,30)/t18-,19-
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n/an/a 51n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...


Eur J Med Chem 158: 896-916 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.025
BindingDB Entry DOI: 10.7270/Q2DJ5J9D
More data for this
Ligand-Target Pair
CDK12/Cyclin K


(Homo sapiens (Human))
BDBM50367676
PNG
(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-
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n/an/a 52n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay 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...


J Med Chem 61: 7710-7728 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00683
BindingDB Entry DOI: 10.7270/Q2HX1G6F
More data for this
Ligand-Target Pair
Cyclin-K


(Homo sapiens (Human))
BDBM50466233
PNG
(CHEMBL4285545)
Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3CCCC3)n2)c(Cl)cn1
Show InChI InChI=1S/C23H34ClN5OS/c1-30-11-10-25-17-6-8-18(9-7-17)28-22-12-19(20(24)14-26-22)21-15-31-23(29-21)27-13-16-4-2-3-5-16/h12,14-18,25H,2-11,13H2,1H3,(H,26,28)(H,27,29)/t17-,18-
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...


Eur J Med Chem 158: 896-916 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.025
BindingDB Entry DOI: 10.7270/Q2DJ5J9D
More data for this
Ligand-Target Pair
Cyclin-K


(Homo sapiens (Human))
BDBM50466213
PNG
(CHEMBL4290724)
Show SMILES N[C@H]1CC[C@H](CNc2cc(-c3csc(NCC4CCOCC4)n3)c(Cl)cn2)CC1
Show InChI InChI=1S/C21H30ClN5OS/c22-18-12-25-20(24-10-14-1-3-16(23)4-2-14)9-17(18)19-13-29-21(27-19)26-11-15-5-7-28-8-6-15/h9,12-16H,1-8,10-11,23H2,(H,24,25)(H,26,27)/t14-,16-
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...


Eur J Med Chem 158: 896-916 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.025
BindingDB Entry DOI: 10.7270/Q2DJ5J9D
More data for this
Ligand-Target Pair
Cyclin-K


(Homo sapiens (Human))
BDBM50466239
PNG
(CHEMBL4276761)
Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3CCOC3)n2)c(Cl)cn1
Show InChI InChI=1S/C22H32ClN5O2S/c1-29-9-7-24-16-2-4-17(5-3-16)27-21-10-18(19(23)12-25-21)20-14-31-22(28-20)26-11-15-6-8-30-13-15/h10,12,14-17,24H,2-9,11,13H2,1H3,(H,25,27)(H,26,28)/t15?,16-,17-
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n/an/a 90n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...


Eur J Med Chem 158: 896-916 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.025
BindingDB Entry DOI: 10.7270/Q2DJ5J9D
More data for this
Ligand-Target Pair
Cyclin-K


(Homo sapiens (Human))
BDBM50466232
PNG
(CHEMBL4288923)
Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3C4CC5CC(C4)CC3C5)n2)c(Cl)cn1
Show InChI InChI=1S/C28H40ClN5OS/c1-35-7-6-30-21-2-4-22(5-3-21)33-27-13-23(25(29)15-31-27)26-16-36-28(34-26)32-14-24-19-9-17-8-18(11-19)12-20(24)10-17/h13,15-22,24,30H,2-12,14H2,1H3,(H,31,33)(H,32,34)/t17?,18?,19?,20?,21-,22-,24?
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n/an/a 94n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...


Eur J Med Chem 158: 896-916 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.025
BindingDB Entry DOI: 10.7270/Q2DJ5J9D
More data for this
Ligand-Target Pair
Cyclin-K


(Homo sapiens (Human))
BDBM50466220
PNG
(CHEMBL4277182)
Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3CC3)n2)c(Cl)cn1
Show InChI InChI=1S/C21H30ClN5OS/c1-28-9-8-23-15-4-6-16(7-5-15)26-20-10-17(18(22)12-24-20)19-13-29-21(27-19)25-11-14-2-3-14/h10,12-16,23H,2-9,11H2,1H3,(H,24,26)(H,25,27)/t15-,16-
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n/an/a 96n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...


Eur J Med Chem 158: 896-916 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.025
BindingDB Entry DOI: 10.7270/Q2DJ5J9D
More data for this
Ligand-Target Pair
Cyclin-K


(Homo sapiens (Human))
BDBM50466211
PNG
(CHEMBL4292333)
Show SMILES CNc1nc(cs1)-c1cc(N[C@H]2CC[C@@H](CC2)NCCOC)ncc1Cl
Show InChI InChI=1S/C18H26ClN5OS/c1-20-18-24-16(11-26-18)14-9-17(22-10-15(14)19)23-13-5-3-12(4-6-13)21-7-8-25-2/h9-13,21H,3-8H2,1-2H3,(H,20,24)(H,22,23)/t12-,13-
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n/an/a 101n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...


Eur J Med Chem 158: 896-916 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.025
BindingDB Entry DOI: 10.7270/Q2DJ5J9D
More data for this
Ligand-Target Pair
Cyclin-K


(Homo sapiens (Human))
BDBM50466229
PNG
(CHEMBL4279380)
Show SMILES CC(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3CCOCC3)n2)c(Cl)cn1
Show InChI InChI=1S/C22H30ClN5O2S/c1-14(29)26-16-2-4-17(5-3-16)27-21-10-18(19(23)12-24-21)20-13-31-22(28-20)25-11-15-6-8-30-9-7-15/h10,12-13,15-17H,2-9,11H2,1H3,(H,24,27)(H,25,28)(H,26,29)/t16-,17-
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n/an/a 101n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...


Eur J Med Chem 158: 896-916 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.025
BindingDB Entry DOI: 10.7270/Q2DJ5J9D
More data for this
Ligand-Target Pair
Cyclin-K


(Homo sapiens (Human))
BDBM50466234
PNG
(CHEMBL4285140)
Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3CCC3)n2)c(Cl)cn1
Show InChI InChI=1S/C22H32ClN5OS/c1-29-10-9-24-16-5-7-17(8-6-16)27-21-11-18(19(23)13-25-21)20-14-30-22(28-20)26-12-15-3-2-4-15/h11,13-17,24H,2-10,12H2,1H3,(H,25,27)(H,26,28)/t16-,17-
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n/an/a 107n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...


Eur J Med Chem 158: 896-916 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.025
BindingDB Entry DOI: 10.7270/Q2DJ5J9D
More data for this
Ligand-Target Pair
Cyclin-K


(Homo sapiens (Human))
BDBM50466214
PNG
(CHEMBL4279156)
Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(ccn1)-c1csc(NCC2CCOCC2)n1
Show InChI InChI=1S/C23H35N5O2S/c1-29-13-10-24-19-2-4-20(5-3-19)27-22-14-18(6-9-25-22)21-16-31-23(28-21)26-15-17-7-11-30-12-8-17/h6,9,14,16-17,19-20,24H,2-5,7-8,10-13,15H2,1H3,(H,25,27)(H,26,28)/t19-,20-
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n/an/a 114n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...


Eur J Med Chem 158: 896-916 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.025
BindingDB Entry DOI: 10.7270/Q2DJ5J9D
More data for this
Ligand-Target Pair
Cyclin-K


(Homo sapiens (Human))
BDBM50466228
PNG
(CHEMBL4287306)
Show SMILES Clc1cnc(N[C@H]2CC[C@@H](CC2)NC(=O)C2CC2)cc1-c1csc(NCC2CCOCC2)n1
Show InChI InChI=1S/C24H32ClN5O2S/c25-20-13-26-22(28-17-3-5-18(6-4-17)29-23(31)16-1-2-16)11-19(20)21-14-33-24(30-21)27-12-15-7-9-32-10-8-15/h11,13-18H,1-10,12H2,(H,26,28)(H,27,30)(H,29,31)/t17-,18-
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n/an/a 150n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...


Eur J Med Chem 158: 896-916 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.025
BindingDB Entry DOI: 10.7270/Q2DJ5J9D
More data for this
Ligand-Target Pair
Cyclin-K


(Homo sapiens (Human))
BDBM50466230
PNG
(CHEMBL4286229)
Show SMILES Clc1cnc(Nc2ccccc2)cc1-c1csc(NCC2CCOCC2)n1
Show InChI InChI=1S/C20H21ClN4OS/c21-17-12-22-19(24-15-4-2-1-3-5-15)10-16(17)18-13-27-20(25-18)23-11-14-6-8-26-9-7-14/h1-5,10,12-14H,6-9,11H2,(H,22,24)(H,23,25)
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n/an/a 238n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...


Eur J Med Chem 158: 896-916 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.025
BindingDB Entry DOI: 10.7270/Q2DJ5J9D
More data for this
Ligand-Target Pair
Cyclin-K


(Homo sapiens (Human))
BDBM50466242
PNG
(CHEMBL4289836)
Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3CCOCC3)n2)c(C)cn1
Show InChI InChI=1S/C24H37N5O2S/c1-17-14-26-23(28-20-5-3-19(4-6-20)25-9-12-30-2)13-21(17)22-16-32-24(29-22)27-15-18-7-10-31-11-8-18/h13-14,16,18-20,25H,3-12,15H2,1-2H3,(H,26,28)(H,27,29)/t19-,20-
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n/an/a 253n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...


Eur J Med Chem 158: 896-916 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.025
BindingDB Entry DOI: 10.7270/Q2DJ5J9D
More data for this
Ligand-Target Pair
CDK9/Cyclin K


(Homo sapiens (Human))
BDBM50263013
PNG
(CHEMBL4079206)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O
Show InChI InChI=1S/C23H21Cl2NO5/c1-26-8-7-14(20(30)11-26)21-18(28)10-19(29)22-17(27)9-12(31-23(21)22)5-6-13-15(24)3-2-4-16(13)25/h2-6,9-10,14,20,28-30H,7-8,11H2,1H3/b6-5+/t14-,20+/m0/s1
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n/an/a 412n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) using YSPTSPSYSPTSPSYSPTSPKKK as substrate after 30 mins in presence of [33P]-gamma-ATP by filter bindi...


J Med Chem 61: 1664-1687 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01765
BindingDB Entry DOI: 10.7270/Q2DV1NC4
More data for this
Ligand-Target Pair
Cyclin-K


(Homo sapiens (Human))
BDBM50466241
PNG
(CHEMBL4289648)
Show SMILES Fc1cc(-c2csc(NCC3CCOCC3)n2)c(Cl)cn1
Show InChI InChI=1S/C14H15ClFN3OS/c15-11-7-17-13(16)5-10(11)12-8-21-14(19-12)18-6-9-1-3-20-4-2-9/h5,7-9H,1-4,6H2,(H,18,19)
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n/an/a 557n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...


Eur J Med Chem 158: 896-916 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.025
BindingDB Entry DOI: 10.7270/Q2DJ5J9D
More data for this
Ligand-Target Pair
Cyclin-K


(Homo sapiens (Human))
BDBM50466223
PNG
(CHEMBL4286410)
Show SMILES COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3CCOCC3)n2)c(Cl)cn1
Show InChI InChI=1S/C24H36ClN5O2S/c1-16(14-31-2)28-18-3-5-19(6-4-18)29-23-11-20(21(25)13-26-23)22-15-33-24(30-22)27-12-17-7-9-32-10-8-17/h11,13,15-19,28H,3-10,12,14H2,1-2H3,(H,26,29)(H,27,30)/t16-,18-,19-/m1/s1
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n/an/a 733n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...


Eur J Med Chem 158: 896-916 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.025
BindingDB Entry DOI: 10.7270/Q2DJ5J9D
More data for this
Ligand-Target Pair
Cyclin-K


(Homo sapiens (Human))
BDBM50466231
PNG
(CHEMBL4278973)
Show SMILES COCCNc1cc(-c2csc(NCC3CCOCC3)n2)c(Cl)cn1
Show InChI InChI=1S/C17H23ClN4O2S/c1-23-7-4-19-16-8-13(14(18)10-20-16)15-11-25-17(22-15)21-9-12-2-5-24-6-3-12/h8,10-12H,2-7,9H2,1H3,(H,19,20)(H,21,22)
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n/an/a 1.04E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...


Eur J Med Chem 158: 896-916 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.025
BindingDB Entry DOI: 10.7270/Q2DJ5J9D
More data for this
Ligand-Target Pair
Cyclin-K


(Homo sapiens (Human))
BDBM50466215
PNG
(CHEMBL4288265)
Show SMILES COCCN[C@H]1CC[C@@H](CC1)Oc1cc(-c2csc(NCC3CCOCC3)n2)c(Cl)cn1
Show InChI InChI=1S/C23H33ClN4O3S/c1-29-11-8-25-17-2-4-18(5-3-17)31-22-12-19(20(24)14-26-22)21-15-32-23(28-21)27-13-16-6-9-30-10-7-16/h12,14-18,25H,2-11,13H2,1H3,(H,27,28)/t17-,18-
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n/an/a 1.67E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...


Eur J Med Chem 158: 896-916 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.025
BindingDB Entry DOI: 10.7270/Q2DJ5J9D
More data for this
Ligand-Target Pair
Cyclin-K


(Homo sapiens (Human))
BDBM50466227
PNG
(CHEMBL4282626)
Show SMILES COCC(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3CCOCC3)n2)c(Cl)cn1
Show InChI InChI=1S/C23H32ClN5O3S/c1-31-13-22(30)28-17-4-2-16(3-5-17)27-21-10-18(19(24)12-25-21)20-14-33-23(29-20)26-11-15-6-8-32-9-7-15/h10,12,14-17H,2-9,11,13H2,1H3,(H,25,27)(H,26,29)(H,28,30)/t16-,17-
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n/an/a 1.89E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...


Eur J Med Chem 158: 896-916 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.025
BindingDB Entry DOI: 10.7270/Q2DJ5J9D
More data for this
Ligand-Target Pair
Cyclin-K


(Homo sapiens (Human))
BDBM50466237
PNG
(CHEMBL4294123)
Show SMILES Fc1ccc(cc1)C(=O)Nc1cc(-c2csc(NCC3CCOCC3)n2)c(Cl)cn1
Show InChI InChI=1S/C21H20ClFN4O2S/c22-17-11-24-19(27-20(28)14-1-3-15(23)4-2-14)9-16(17)18-12-30-21(26-18)25-10-13-5-7-29-8-6-13/h1-4,9,11-13H,5-8,10H2,(H,25,26)(H,24,27,28)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...


Eur J Med Chem 158: 896-916 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.025
BindingDB Entry DOI: 10.7270/Q2DJ5J9D
More data for this
Ligand-Target Pair
Cyclin-K


(Homo sapiens (Human))
BDBM50466236
PNG
(CHEMBL4282430)
Show SMILES CC(C)(C)OC(=O)Nc1nc(cs1)-c1cc(F)ncc1Cl
Show InChI InChI=1S/C13H13ClFN3O2S/c1-13(2,3)20-12(19)18-11-17-9(6-21-11)7-4-10(15)16-5-8(7)14/h4-6H,1-3H3,(H,17,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...


Eur J Med Chem 158: 896-916 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.025
BindingDB Entry DOI: 10.7270/Q2DJ5J9D
More data for this
Ligand-Target Pair
Cyclin-K


(Homo sapiens (Human))
BDBM50135286
PNG
(CHEMBL3745885)
Show SMILES Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C22H15F2N5O3S/c1-29-20-13(9-19(21(29)30)33(31,32)18-5-2-14(23)10-16(18)24)11-26-22(28-20)27-15-3-4-17-12(8-15)6-7-25-17/h2-11,25H,1H3,(H,26,27,28)
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human CDK9/cyclin K using [KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC] as substrate


Bioorg Med Chem 24: 521-44 (2016)


Article DOI: 10.1016/j.bmc.2015.11.045
BindingDB Entry DOI: 10.7270/Q24Q7WT8
More data for this
Ligand-Target Pair
Cyclin-K


(Homo sapiens (Human))
BDBM50466224
PNG
(CHEMBL4294301)
Show SMILES COC[C@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3CCOCC3)n2)c(Cl)cn1
Show InChI InChI=1S/C24H36ClN5O2S/c1-16(14-31-2)28-18-3-5-19(6-4-18)29-23-11-20(21(25)13-26-23)22-15-33-24(30-22)27-12-17-7-9-32-10-8-17/h11,13,15-19,28H,3-10,12,14H2,1-2H3,(H,26,29)(H,27,30)/t16-,18-,19-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...


Eur J Med Chem 158: 896-916 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.025
BindingDB Entry DOI: 10.7270/Q2DJ5J9D
More data for this
Ligand-Target Pair