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Compile Data Set for Download or QSAR

Found 285 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 7'   
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 7


(Homo sapiens (human))
BDBM50110178
PNG
(CHEMBL3603847)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+
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n/an/a 3.20n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Competitive inhibition of human CDK7 in presence of ATP


Bioorg Med Chem Lett 25: 3420-35 (2015)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM12116
PNG
(3-(Indol-2-yl)indazole 6 | 3-[5-(morpholin-4-ylmet...)
Show SMILES N#Cc1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCOCC3)ccc2[nH]1
Show InChI InChI=1S/C21H19N5O/c22-12-14-1-3-17-19(10-14)24-25-21(17)20-11-16-9-15(2-4-18(16)23-20)13-26-5-7-27-8-6-26/h1-4,9-11,23H,5-8,13H2,(H,24,25)
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n/an/a 11n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of CDC7 (unknown origin)


Bioorg Med Chem 23: 1858-68 (2015)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(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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n/an/a 20n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK7


Bioorg Med Chem Lett 16: 3751-4 (2006)

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


(Homo sapiens (human))
BDBM50184466
PNG
(CHEMBL3823659)
Show SMILES CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cn1
Show InChI InChI=1S/C21H21ClN8O/c1-14(31)28-8-5-16(6-9-28)30-13-15(10-25-30)26-21-24-11-17(22)20(27-21)18-12-23-19-4-2-3-7-29(18)19/h2-4,7,10-13,16H,5-6,8-9H2,1H3,(H,24,26,27)
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n/an/a 21n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50379627
PNG
(CHEMBL2013060)
Show SMILES C1CN(CCN1)c1cccc(Nc2ncc(s2)-c2ccccc2)n1
Show InChI InChI=1S/C18H19N5S/c1-2-5-14(6-3-1)15-13-20-18(24-15)22-16-7-4-8-17(21-16)23-11-9-19-10-12-23/h1-8,13,19H,9-12H2,(H,20,21,22)
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n/an/a 26n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDK7


Bioorg Med Chem Lett 22: 2613-9 (2012)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(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 62n/an/an/an/an/an/a



Sunesis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK7/Cyclin H (unknown origin)


Bioorg Med Chem Lett 18: 6236-9 (2008)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(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 62n/an/an/an/an/an/a



Sunesis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclinH by IMAP florescence polarization assay


Bioorg Med Chem Lett 18: 5763-5 (2009)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50293174
PNG
((trans)-N1-(5-((5-tert-butyloxazol-2-yl)methylthio...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(N[C@H]3CC[C@H](N)CC3)s2)o1
Show InChI InChI=1S/C17H26N4OS2/c1-17(2,3)13-8-19-14(22-13)10-23-15-9-20-16(24-15)21-12-6-4-11(18)5-7-12/h8-9,11-12H,4-7,10,18H2,1-3H3,(H,20,21)/t11-,12-
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n/an/a 105n/an/an/an/an/an/a



Sunesis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclinH by IMAP florescence polarization assay


Bioorg Med Chem Lett 18: 5763-5 (2009)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(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 110n/an/an/an/an/an/a



Sunesis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK7/Cyclin H (unknown origin)


Bioorg Med Chem Lett 18: 6236-9 (2008)

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


(Homo sapiens (human))
BDBM50347389
PNG
(CHEMBL1801932)
Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12
Show InChI InChI=1S/C22H32N6/c1-17(2)19-16-26-28-21(25-15-18-10-6-5-7-11-18)14-20(27-22(19)28)24-13-9-4-3-8-12-23/h5-7,10-11,14,16-17,25H,3-4,8-9,12-13,15,23H2,1-2H3,(H,24,27)
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n/an/a 134n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin)


Eur J Med Chem 110: 291-301 (2016)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50379646
PNG
(CHEMBL2013163)
Show SMILES NCCNC(=O)c1cccc(c1)-c1cnc(Nc2cc(ccn2)N2CCC(F)(F)CC2)s1
Show InChI InChI=1S/C22H24F2N6OS/c23-22(24)5-10-30(11-6-22)17-4-8-26-19(13-17)29-21-28-14-18(32-21)15-2-1-3-16(12-15)20(31)27-9-7-25/h1-4,8,12-14H,5-7,9-11,25H2,(H,27,31)(H,26,28,29)
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n/an/a 160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDK7


Bioorg Med Chem Lett 22: 2613-9 (2012)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50379642
PNG
(CHEMBL2011352)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccnc(Nc2ncc(s2)-c2cncc(c2)C(=O)NCCN)c1
Show InChI InChI=1S/C21H26N8O3S2/c1-34(31,32)29-8-6-28(7-9-29)17-2-4-24-19(11-17)27-21-26-14-18(33-21)15-10-16(13-23-12-15)20(30)25-5-3-22/h2,4,10-14H,3,5-9,22H2,1H3,(H,25,30)(H,24,26,27)
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n/an/a 170n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDK7


Bioorg Med Chem Lett 22: 2613-9 (2012)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50186374
PNG
(CHEMBL212049 | N-(5-(2-(cyclohexyloxy)-5-methylpyr...)
Show SMILES Cc1cnc(OC2CCCCC2)nc1-c1cnc(Nc2ccccn2)s1
Show InChI InChI=1S/C19H21N5OS/c1-13-11-21-18(25-14-7-3-2-4-8-14)24-17(13)15-12-22-19(26-15)23-16-9-5-6-10-20-16/h5-6,9-12,14H,2-4,7-8H2,1H3,(H,20,22,23)
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n/an/a 190n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK7


Bioorg Med Chem Lett 16: 3751-4 (2006)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50269948
PNG
(6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluorom...)
Show SMILES CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1
Show InChI InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30)
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n/an/a 197n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human CDK7/cyclinH/MAT1


J Biol Chem 282: 14845-52 (2007)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50379643
PNG
(CHEMBL2011353)
Show SMILES CC(=O)N1CCN(CC1)c1ccnc(Nc2ncc(s2)-c2cncc(c2)C(=O)NCCN)c1
Show InChI InChI=1S/C22H26N8O2S/c1-15(31)29-6-8-30(9-7-29)18-2-4-25-20(11-18)28-22-27-14-19(33-22)16-10-17(13-24-12-16)21(32)26-5-3-23/h2,4,10-14H,3,5-9,23H2,1H3,(H,26,32)(H,25,27,28)
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n/an/a 210n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDK7


Bioorg Med Chem Lett 22: 2613-9 (2012)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50379632
PNG
(CHEMBL2011349)
Show SMILES C1CN(CCN1)c1ccnc(Nc2ncc(s2)-c2cncc(c2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H20N8S/c1-2-23-19(8-17(1)28-5-3-21-4-6-28)27-20-24-13-18(29-20)15-7-14(9-22-10-15)16-11-25-26-12-16/h1-2,7-13,21H,3-6H2,(H,25,26)(H,23,24,27)
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n/an/a 260n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDK7


Bioorg Med Chem Lett 22: 2613-9 (2012)

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


(Homo sapiens (human))
BDBM50184461
PNG
(CHEMBL3823030)
Show SMILES C[C@@H](O)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
Show InChI InChI=1/C24H27ClN8O2/c1-14-21(15(2)33(30-14)17-7-10-31(11-8-17)23(35)16(3)34)28-24-26-13-19(25)22(29-24)18-12-27-32-9-5-4-6-20(18)32/h4-6,9,12-13,16-17,34H,7-8,10-11H2,1-3H3,(H,26,28,29)/t16-/s2
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n/an/a 300n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin)


J Med Chem 59: 4859-66 (2016)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50379652
PNG
(CHEMBL2013170)
Show SMILES NCNC(=O)c1cncc(c1)-c1cnc(Nc2cc(ccn2)N2CCC(F)(F)CC2)s1
Show InChI InChI=1S/C20H21F2N7OS/c21-20(22)2-5-29(6-3-20)15-1-4-25-17(8-15)28-19-26-11-16(31-19)13-7-14(10-24-9-13)18(30)27-12-23/h1,4,7-11H,2-3,5-6,12,23H2,(H,27,30)(H,25,26,28)
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n/an/a 317n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDK7


Bioorg Med Chem Lett 22: 2613-9 (2012)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50379641
PNG
(CHEMBL2010809)
Show SMILES NCCNC(=O)c1cncc(c1)-c1cnc(Nc2cc(ccn2)N2CCOCC2)s1
Show InChI InChI=1S/C20H23N7O2S/c21-2-4-24-19(28)15-9-14(11-22-12-15)17-13-25-20(30-17)26-18-10-16(1-3-23-18)27-5-7-29-8-6-27/h1,3,9-13H,2,4-8,21H2,(H,24,28)(H,23,25,26)
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n/an/a 340n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDK7


Bioorg Med Chem Lett 22: 2613-9 (2012)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50379651
PNG
(CHEMBL2013169)
Show SMILES NCNC(=O)c1cncc(c1)-c1cnc(Nc2cc(ccn2)N2CCC(F)CC2)s1
Show InChI InChI=1S/C20H22FN7OS/c21-15-2-5-28(6-3-15)16-1-4-24-18(8-16)27-20-25-11-17(30-20)13-7-14(10-23-9-13)19(29)26-12-22/h1,4,7-11,15H,2-3,5-6,12,22H2,(H,26,29)(H,24,25,27)
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n/an/a 350n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDK7


Bioorg Med Chem Lett 22: 2613-9 (2012)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50379630
PNG
(CHEMBL2013063)
Show SMILES C1CN(CCN1)c1cccc(Nc2ncc(s2)-c2cncnc2)n1
Show InChI InChI=1S/C16H17N7S/c1-2-14(21-15(3-1)23-6-4-17-5-7-23)22-16-20-10-13(24-16)12-8-18-11-19-9-12/h1-3,8-11,17H,4-7H2,(H,20,21,22)
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n/an/a 410n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDK7


Bioorg Med Chem Lett 22: 2613-9 (2012)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50379631
PNG
(CHEMBL2013064)
Show SMILES Brc1cncc(c1)-c1cnc(Nc2cc(ccn2)N2CCNCC2)s1
Show InChI InChI=1S/C17H17BrN6S/c18-13-7-12(9-20-10-13)15-11-22-17(25-15)23-16-8-14(1-2-21-16)24-5-3-19-4-6-24/h1-2,7-11,19H,3-6H2,(H,21,22,23)
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n/an/a 480n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDK7


Bioorg Med Chem Lett 22: 2613-9 (2012)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50358212
PNG
(CHEMBL1922218 | US8846696, (2S3R)-3-{9-Isopropyl-6...)
Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@H](C)O
Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...


US Patent US8846696 (2014)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50186375
PNG
(CHEMBL210540 | N-(5-(2-(cyclohexyloxy)-6-methylpyr...)
Show SMILES CN1CCN(Cc2cnc(Nc3ncc(s3)-c3cc(C)nc(OC4CCCCC4)n3)cn2)CC1
Show InChI InChI=1S/C24H32N8OS/c1-17-12-20(29-23(28-17)33-19-6-4-3-5-7-19)21-14-27-24(34-21)30-22-15-25-18(13-26-22)16-32-10-8-31(2)9-11-32/h12-15,19H,3-11,16H2,1-2H3,(H,26,27,30)
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n/an/a 530n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK7


Bioorg Med Chem Lett 16: 3751-4 (2006)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50379624
PNG
(CHEMBL2013167)
Show SMILES FC(F)(F)CNC(=O)c1cncc(c1)-c1cnc(Nc2cc(ccn2)N2CCOCC2)s1
Show InChI InChI=1S/C20H19F3N6O2S/c21-20(22,23)12-27-18(30)14-7-13(9-24-10-14)16-11-26-19(32-16)28-17-8-15(1-2-25-17)29-3-5-31-6-4-29/h1-2,7-11H,3-6,12H2,(H,27,30)(H,25,26,28)
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n/an/a 705n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDK7


Bioorg Med Chem Lett 22: 2613-9 (2012)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50118346
PNG
(CHEMBL3612482)
Show SMILES CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C15H13ClN6O4S/c1-10-3-4-12(22(23)24)7-13(10)27(25,26)20(2)17-8-11-9-18-21-6-5-14(16)19-15(11)21/h3-9H,1-2H3/b17-8+
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n/an/a 841n/an/an/an/an/an/a



The University of Melbourne

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin) by radiometric assay


Bioorg Med Chem 23: 6280-96 (2015)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50379626
PNG
(CHEMBL2013059)
Show SMILES Cc1ccc(cn1)-c1cnc(Nc2cccc(NCCCN)n2)s1
Show InChI InChI=1S/C17H20N6S/c1-12-6-7-13(10-20-12)14-11-21-17(24-14)23-16-5-2-4-15(22-16)19-9-3-8-18/h2,4-7,10-11H,3,8-9,18H2,1H3,(H2,19,21,22,23)
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n/an/a 870n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDK7


Bioorg Med Chem Lett 22: 2613-9 (2012)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM5655
PNG
(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
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n/an/a 875n/an/an/an/an/an/a



Nerviano Medical Sciences Oncology

Curated by ChEMBL


Assay Description
Inhibition of Cdk7


Nat Chem Biol 4: 357-65 (2008)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50379645
PNG
(CHEMBL2013162)
Show SMILES Cc1cccnc1Nc1ncc(s1)-c1cncc(c1)C(=O)NCCN
Show InChI InChI=1S/C17H18N6OS/c1-11-3-2-5-20-15(11)23-17-22-10-14(25-17)12-7-13(9-19-8-12)16(24)21-6-4-18/h2-3,5,7-10H,4,6,18H2,1H3,(H,21,24)(H,20,22,23)
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n/an/a 910n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDK7


Bioorg Med Chem Lett 22: 2613-9 (2012)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50379644
PNG
(CHEMBL2013160)
Show SMILES NCCNC(=O)c1cncc(c1)-c1cnc(Nc2cc(Cl)ccn2)s1
Show InChI InChI=1S/C16H15ClN6OS/c17-12-1-3-20-14(6-12)23-16-22-9-13(25-16)10-5-11(8-19-7-10)15(24)21-4-2-18/h1,3,5-9H,2,4,18H2,(H,21,24)(H,20,22,23)
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n/an/a 940n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDK7


Bioorg Med Chem Lett 22: 2613-9 (2012)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50379622
PNG
(CHEMBL2013161)
Show SMILES NCCNC(=O)c1cncc(c1)-c1cnc(Nc2ncccc2Cl)s1
Show InChI InChI=1S/C16H15ClN6OS/c17-12-2-1-4-20-14(12)23-16-22-9-13(25-16)10-6-11(8-19-7-10)15(24)21-5-3-18/h1-2,4,6-9H,3,5,18H2,(H,21,24)(H,20,22,23)
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n/an/a 960n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDK7


Bioorg Med Chem Lett 22: 2613-9 (2012)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50379621
PNG
(CHEMBL2013061)
Show SMILES Cc1ccc(cn1)-c1cnc(Nc2cccc(n2)N2CCNCC2)s1
Show InChI InChI=1S/C18H20N6S/c1-13-5-6-14(11-20-13)15-12-21-18(25-15)23-16-3-2-4-17(22-16)24-9-7-19-8-10-24/h2-6,11-12,19H,7-10H2,1H3,(H,21,22,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDK7


Bioorg Med Chem Lett 22: 2613-9 (2012)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50358221
PNG
(CHEMBL1922120 | US8846696, (3RS,4R)-4-{9-Isopropyl...)
Show SMILES CCC(O)[C@@H](CC)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C20H29N7O/c1-5-15(16(28)6-2)24-20-25-18(22-11-14-8-7-9-21-10-14)17-19(26-20)27(12-23-17)13(3)4/h7-10,12-13,15-16,28H,5-6,11H2,1-4H3,(H2,22,24,25,26)/t15-,16?/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...


US Patent US8846696 (2014)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50358213
PNG
(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)
Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK7 in human HT29 cells assessed as reduction in RNA polymerase 2 expression


Bioorg Med Chem 19: 6949-65 (2011)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50358213
PNG
(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)
Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...


US Patent US8846696 (2014)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50440135
PNG
(CHEMBL2426395)
Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(OC)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C25H22N4O3S/c1-31-20-12-8-17(9-13-20)23-22(16-29(28-23)19-6-4-3-5-7-19)24(30)27-25(33)26-18-10-14-21(32-2)15-11-18/h3-16H,1-2H3,(H2,26,27,30,33)
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n/an/a 1.42E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP


Eur J Med Chem 68: 1-9 (2013)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50358235
PNG
(CHEMBL1922209 | US8846696, (3RS,4S)-4-{9-Isopropyl...)
Show SMILES CCC(O)[C@H](CC)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C20H29N7O/c1-5-15(16(28)6-2)24-20-25-18(22-11-14-8-7-9-21-10-14)17-19(26-20)27(12-23-17)13(3)4/h7-10,12-13,15-16,28H,5-6,11H2,1-4H3,(H2,22,24,25,26)/t15-,16?/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...


US Patent US8846696 (2014)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50358223
PNG
(CHEMBL1922122 | US8846696, (3RS,4R)-4-{9-Isopropyl...)
Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C
Show InChI InChI=1S/C22H33N7O/c1-7-16(18(30)22(4,5)6)26-21-27-19(24-12-15-9-8-10-23-11-15)17-20(28-21)29(13-25-17)14(2)3/h8-11,13-14,16,18,30H,7,12H2,1-6H3,(H2,24,26,27,28)/t16-,18?/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...


US Patent US8846696 (2014)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50440136
PNG
(CHEMBL2426391)
Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(F)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H19FN4O2S/c1-31-20-13-11-18(12-14-20)26-24(32)27-23(30)21-15-29(19-5-3-2-4-6-19)28-22(21)16-7-9-17(25)10-8-16/h2-15H,1H3,(H2,26,27,30,32)
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n/an/a 1.64E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP


Eur J Med Chem 68: 1-9 (2013)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50440137
PNG
(CHEMBL2426387)
Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H19ClN4O2S/c1-31-20-13-11-18(12-14-20)26-24(32)27-23(30)21-15-29(19-5-3-2-4-6-19)28-22(21)16-7-9-17(25)10-8-16/h2-15H,1H3,(H2,26,27,30,32)
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n/an/a 1.65E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP


Eur J Med Chem 68: 1-9 (2013)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50118345
PNG
(CHEMBL3612514)
Show SMILES Cc1ccc(cc1S(=O)(=O)n1cc(cn1)-c1cnn2ccc(Cl)nc12)[N+]([O-])=O
Show InChI InChI=1S/C16H11ClN6O4S/c1-10-2-3-12(23(24)25)6-14(10)28(26,27)22-9-11(7-19-22)13-8-18-21-5-4-15(17)20-16(13)21/h2-9H,1H3
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n/an/a 1.68E+3n/an/an/an/an/an/a



The University of Melbourne

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin) by radiometric assay


Bioorg Med Chem 23: 6280-96 (2015)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50379625
PNG
(CHEMBL2011328)
Show SMILES O=C(CN1CCN(CC1)c1ccnc(Nc2ncc(s2)-c2cccnc2)c1)N1CCOCC1
Show InChI InChI=1S/C23H27N7O2S/c31-22(30-10-12-32-13-11-30)17-28-6-8-29(9-7-28)19-3-5-25-21(14-19)27-23-26-16-20(33-23)18-2-1-4-24-15-18/h1-5,14-16H,6-13,17H2,(H,25,26,27)
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n/an/a 1.76E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDK7


Bioorg Med Chem Lett 22: 2613-9 (2012)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50440138
PNG
(CHEMBL2426383)
Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(C)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C25H22N4O2S/c1-17-8-10-18(11-9-17)23-22(16-29(28-23)20-6-4-3-5-7-20)24(30)27-25(32)26-19-12-14-21(31-2)15-13-19/h3-16H,1-2H3,(H2,26,27,30,32)
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n/an/a 1.79E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP


Eur J Med Chem 68: 1-9 (2013)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50118334
PNG
(CHEMBL3612507)
Show SMILES CN(\N=C\c1cnn2ccc(nc12)C#N)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C16H13N7O4S/c1-11-3-4-14(23(24)25)7-15(11)28(26,27)21(2)18-9-12-10-19-22-6-5-13(8-17)20-16(12)22/h3-7,9-10H,1-2H3/b18-9+
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n/an/a 1.81E+3n/an/an/an/an/an/a



The University of Melbourne

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin) by radiometric assay


Bioorg Med Chem 23: 6280-96 (2015)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50440139
PNG
(CHEMBL2426399)
Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccccc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H20N4O2S/c1-30-20-14-12-18(13-15-20)25-24(31)26-23(29)21-16-28(19-10-6-3-7-11-19)27-22(21)17-8-4-2-5-9-17/h2-16H,1H3,(H2,25,26,29,31)
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n/an/a 1.88E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP


Eur J Med Chem 68: 1-9 (2013)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50379635
PNG
(CHEMBL2013066)
Show SMILES Cn1cc(cn1)-c1cncc(c1)-c1cnc(Nc2cc(ccn2)N2CCNCC2)s1
Show InChI InChI=1S/C21H22N8S/c1-28-14-17(12-26-28)15-8-16(11-23-10-15)19-13-25-21(30-19)27-20-9-18(2-3-24-20)29-6-4-22-5-7-29/h2-3,8-14,22H,4-7H2,1H3,(H,24,25,27)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDK7


Bioorg Med Chem Lett 22: 2613-9 (2012)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50379650
PNG
(CHEMBL2013168)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccnc(Nc2ncc(s2)-c2cncc(c2)C(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C21H22F3N7O3S2/c1-36(33,34)31-6-4-30(5-7-31)16-2-3-26-18(9-16)29-20-27-12-17(35-20)14-8-15(11-25-10-14)19(32)28-13-21(22,23)24/h2-3,8-12H,4-7,13H2,1H3,(H,28,32)(H,26,27,29)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDK7


Bioorg Med Chem Lett 22: 2613-9 (2012)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50358222
PNG
(CHEMBL1922121 | US8846696, (3RS,4R)-4-{9-Isopropyl...)
Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)C
Show InChI InChI=1S/C21H31N7O/c1-6-16(18(29)13(2)3)25-21-26-19(23-11-15-8-7-9-22-10-15)17-20(27-21)28(12-24-17)14(4)5/h7-10,12-14,16,18,29H,6,11H2,1-5H3,(H2,23,25,26,27)/t16-,18?/m1/s1
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US Patent
n/an/a 2.20E+3n/an/an/an/an/an/a



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...


US Patent US8846696 (2014)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50358211
PNG
(CHEMBL1922212 | US8846696, (3S)-3-{9-Isopropyl-6-[...)
Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O
Show InChI InChI=1S/C20H29N7O/c1-6-15(20(4,5)28)24-19-25-17(22-11-14-8-7-9-21-10-14)16-18(26-19)27(12-23-16)13(2)3/h7-10,12-13,15,28H,6,11H2,1-5H3,(H2,22,24,25,26)/t15-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...


US Patent US8846696 (2014)

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


(Homo sapiens (human))
BDBM50154932
PNG
(CHEMBL3774632)
Show SMILES CC(O)CNc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1
Show InChI InChI=1/C23H27N7O/c1-14(2)19-20-21(30-29-19)22(28-23(27-20)26-12-15(3)31)25-13-16-7-9-17(10-8-16)18-6-4-5-11-24-18/h4-11,14-15,31H,12-13H2,1-3H3,(H,29,30)(H2,25,26,27,28)
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n/an/a 2.78E+3n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin)


Eur J Med Chem 110: 291-301 (2016)

More data for this
Ligand-Target Pair
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