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13 similar compounds to monomer 50423753

Compile data set for download or QSAR
Wt: 340.3
BDBM50423754
Wt: 329.8
BDBM50423755
Wt: 310.3
BDBM50423756
Wt: 337.4
BDBM50423757
Wt: 325.3
BDBM50423758
Wt: 339.3
BDBM50423761
Wt: 310.3
BDBM50423762
Wt: 294.3
BDBM50423763
Wt: 379.4
BDBM50423764
Wt: 352.4
BDBM50423765
Wt: 362.3
BDBM50423766
Wt: 353.3
BDBM50423768
Wt: 218.2
BDBM50423770

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 39 hits for monomerid = 50423754,50423755,50423756,50423757,50423758,50423761,50423762,50423763,50423764,50423765,50423766,50423768,50423770   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50423754
PNG
(CHEMBL598992)
Show SMILES Nc1nc2CCc3cnc(Nc4cccc(c4)[N+]([O-])=O)nc3-c2s1
Show InChI InChI=1S/C15H12N6O2S/c16-14-19-11-5-4-8-7-17-15(20-12(8)13(11)24-14)18-9-2-1-3-10(6-9)21(22)23/h1-3,6-7H,4-5H2,(H2,16,19)(H,17,18,20)
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3n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK9/CyclinT1


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50423754
PNG
(CHEMBL598992)
Show SMILES Nc1nc2CCc3cnc(Nc4cccc(c4)[N+]([O-])=O)nc3-c2s1
Show InChI InChI=1S/C15H12N6O2S/c16-14-19-11-5-4-8-7-17-15(20-12(8)13(11)24-14)18-9-2-1-3-10(6-9)21(22)23/h1-3,6-7H,4-5H2,(H2,16,19)(H,17,18,20)
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18n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK1/Cyclin B


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50423755
PNG
(CHEMBL609322)
Show SMILES Cc1nc2CCc3cnc(Nc4ccc(Cl)nc4)nc3-c2s1
Show InChI InChI=1S/C15H12ClN5S/c1-8-19-11-4-2-9-6-18-15(21-13(9)14(11)22-8)20-10-3-5-12(16)17-7-10/h3,5-7H,2,4H2,1H3,(H,18,20,21)
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19n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK1/Cyclin B


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50423756
PNG
(CHEMBL611995)
Show SMILES Cc1nc2CCc3cnc(Nc4cccc(O)c4)nc3-c2s1
Show InChI InChI=1S/C16H14N4OS/c1-9-18-13-6-5-10-8-17-16(20-14(10)15(13)22-9)19-11-3-2-4-12(21)7-11/h2-4,7-8,21H,5-6H2,1H3,(H,17,19,20)
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32n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK9/CyclinT1


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50423756
PNG
(CHEMBL611995)
Show SMILES Cc1nc2CCc3cnc(Nc4cccc(O)c4)nc3-c2s1
Show InChI InChI=1S/C16H14N4OS/c1-9-18-13-6-5-10-8-17-16(20-14(10)15(13)22-9)19-11-3-2-4-12(21)7-11/h2-4,7-8,21H,5-6H2,1H3,(H,17,19,20)
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53n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK7/Cyclin H/MAT1


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50423757
PNG
(CHEMBL609915)
Show SMILES CN(C)c1ccc(Nc2ncc3CCc4nc(C)sc4-c3n2)cc1
Show InChI InChI=1S/C18H19N5S/c1-11-20-15-9-4-12-10-19-18(22-16(12)17(15)24-11)21-13-5-7-14(8-6-13)23(2)3/h5-8,10H,4,9H2,1-3H3,(H,19,21,22)
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60n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK7/Cyclin H/MAT1


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50423758
PNG
(CHEMBL598994)
Show SMILES COc1ccc(Nc2ncc3CCc4nc(C)sc4-c3n2)cn1
Show InChI InChI=1S/C16H15N5OS/c1-9-19-12-5-3-10-7-18-16(21-14(10)15(12)23-9)20-11-4-6-13(22-2)17-8-11/h4,6-8H,3,5H2,1-2H3,(H,18,20,21)
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78n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK1/Cyclin B


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50423761
PNG
(CHEMBL599806)
Show SMILES Cc1nc2CCc3cnc(Nc4ccc(cc4)[N+]([O-])=O)nc3-c2s1
Show InChI InChI=1S/C16H13N5O2S/c1-9-18-13-7-2-10-8-17-16(20-14(10)15(13)24-9)19-11-3-5-12(6-4-11)21(22)23/h3-6,8H,2,7H2,1H3,(H,17,19,20)
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140n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK9/CyclinT1


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50423754
PNG
(CHEMBL598992)
Show SMILES Nc1nc2CCc3cnc(Nc4cccc(c4)[N+]([O-])=O)nc3-c2s1
Show InChI InChI=1S/C15H12N6O2S/c16-14-19-11-5-4-8-7-17-15(20-12(8)13(11)24-14)18-9-2-1-3-10(6-9)21(22)23/h1-3,6-7H,4-5H2,(H2,16,19)(H,17,18,20)
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140n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK7/Cyclin H/MAT1


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50423762
PNG
(CHEMBL605635)
Show SMILES Cc1nc2CCc3cnc(Nc4ccc(O)cc4)nc3-c2s1
Show InChI InChI=1S/C16H14N4OS/c1-9-18-13-7-2-10-8-17-16(20-14(10)15(13)22-9)19-11-3-5-12(21)6-4-11/h3-6,8,21H,2,7H2,1H3,(H,17,19,20)
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200n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK1/Cyclin B


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50423763
PNG
(CHEMBL601705)
Show SMILES Cc1nc2CCc3cnc(Nc4ccccc4)nc3-c2s1
Show InChI InChI=1S/C16H14N4S/c1-10-18-13-8-7-11-9-17-16(20-14(11)15(13)21-10)19-12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3,(H,17,19,20)
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260n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK9/CyclinT1


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50423762
PNG
(CHEMBL605635)
Show SMILES Cc1nc2CCc3cnc(Nc4ccc(O)cc4)nc3-c2s1
Show InChI InChI=1S/C16H14N4OS/c1-9-18-13-7-2-10-8-17-16(20-14(10)15(13)22-9)19-11-3-5-12(21)6-4-11/h3-6,8,21H,2,7H2,1H3,(H,17,19,20)
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300n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK7/Cyclin H/MAT1


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50423761
PNG
(CHEMBL599806)
Show SMILES Cc1nc2CCc3cnc(Nc4ccc(cc4)[N+]([O-])=O)nc3-c2s1
Show InChI InChI=1S/C16H13N5O2S/c1-9-18-13-7-2-10-8-17-16(20-14(10)15(13)24-9)19-11-3-5-12(6-4-11)21(22)23/h3-6,8H,2,7H2,1H3,(H,17,19,20)
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310n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK1/Cyclin B


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50423756
PNG
(CHEMBL611995)
Show SMILES Cc1nc2CCc3cnc(Nc4cccc(O)c4)nc3-c2s1
Show InChI InChI=1S/C16H14N4OS/c1-9-18-13-6-5-10-8-17-16(20-14(10)15(13)22-9)19-11-3-2-4-12(21)7-11/h2-4,7-8,21H,5-6H2,1H3,(H,17,19,20)
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360n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK1/Cyclin B


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50423762
PNG
(CHEMBL605635)
Show SMILES Cc1nc2CCc3cnc(Nc4ccc(O)cc4)nc3-c2s1
Show InChI InChI=1S/C16H14N4OS/c1-9-18-13-7-2-10-8-17-16(20-14(10)15(13)22-9)19-11-3-5-12(21)6-4-11/h3-6,8,21H,2,7H2,1H3,(H,17,19,20)
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490n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK9/CyclinT1


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50423757
PNG
(CHEMBL609915)
Show SMILES CN(C)c1ccc(Nc2ncc3CCc4nc(C)sc4-c3n2)cc1
Show InChI InChI=1S/C18H19N5S/c1-11-20-15-9-4-12-10-19-18(22-16(12)17(15)24-11)21-13-5-7-14(8-6-13)23(2)3/h5-8,10H,4,9H2,1-3H3,(H,19,21,22)
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640n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK9/CyclinT1


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50423764
PNG
(CHEMBL598993)
Show SMILES Cc1nc2CCc3cnc(Nc4ccc(cc4)N4CCOCC4)nc3-c2s1
Show InChI InChI=1S/C20H21N5OS/c1-13-22-17-7-2-14-12-21-20(24-18(14)19(17)27-13)23-15-3-5-16(6-4-15)25-8-10-26-11-9-25/h3-6,12H,2,7-11H2,1H3,(H,21,23,24)
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640n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK9/CyclinT1


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50423765
PNG
(CHEMBL601088)
Show SMILES COC(=O)c1ccc(Nc2ncc3CCc4nc(C)sc4-c3n2)cc1
Show InChI InChI=1S/C18H16N4O2S/c1-10-20-14-8-5-12-9-19-18(22-15(12)16(14)25-10)21-13-6-3-11(4-7-13)17(23)24-2/h3-4,6-7,9H,5,8H2,1-2H3,(H,19,21,22)
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670n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK9/CyclinT1


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50423765
PNG
(CHEMBL601088)
Show SMILES COC(=O)c1ccc(Nc2ncc3CCc4nc(C)sc4-c3n2)cc1
Show InChI InChI=1S/C18H16N4O2S/c1-10-20-14-8-5-12-9-19-18(22-15(12)16(14)25-10)21-13-6-3-11(4-7-13)17(23)24-2/h3-4,6-7,9H,5,8H2,1-2H3,(H,19,21,22)
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700n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK1/Cyclin B


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50423763
PNG
(CHEMBL601705)
Show SMILES Cc1nc2CCc3cnc(Nc4ccccc4)nc3-c2s1
Show InChI InChI=1S/C16H14N4S/c1-10-18-13-8-7-11-9-17-16(20-14(11)15(13)21-10)19-12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3,(H,17,19,20)
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750n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK1/Cyclin B


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50423766
PNG
(CHEMBL599805)
Show SMILES Cc1nc2CCc3cnc(Nc4ccc(cc4)C(F)(F)F)nc3-c2s1
Show InChI InChI=1S/C17H13F3N4S/c1-9-22-13-7-2-10-8-21-16(24-14(10)15(13)25-9)23-12-5-3-11(4-6-12)17(18,19)20/h3-6,8H,2,7H2,1H3,(H,21,23,24)
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960n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK1/Cyclin B


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50423764
PNG
(CHEMBL598993)
Show SMILES Cc1nc2CCc3cnc(Nc4ccc(cc4)N4CCOCC4)nc3-c2s1
Show InChI InChI=1S/C20H21N5OS/c1-13-22-17-7-2-14-12-21-20(24-18(14)19(17)27-13)23-15-3-5-16(6-4-15)25-8-10-26-11-9-25/h3-6,12H,2,7-11H2,1H3,(H,21,23,24)
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1.00E+3n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK7/Cyclin H/MAT1


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50423758
PNG
(CHEMBL598994)
Show SMILES COc1ccc(Nc2ncc3CCc4nc(C)sc4-c3n2)cn1
Show InChI InChI=1S/C16H15N5OS/c1-9-19-12-5-3-10-7-18-16(21-14(10)15(12)23-9)20-11-4-6-13(22-2)17-8-11/h4,6-8H,3,5H2,1-2H3,(H,18,20,21)
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1.00E+3n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK9/CyclinT1


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50423758
PNG
(CHEMBL598994)
Show SMILES COc1ccc(Nc2ncc3CCc4nc(C)sc4-c3n2)cn1
Show InChI InChI=1S/C16H15N5OS/c1-9-19-12-5-3-10-7-18-16(21-14(10)15(12)23-9)20-11-4-6-13(22-2)17-8-11/h4,6-8H,3,5H2,1-2H3,(H,18,20,21)
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1.10E+3n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK7/Cyclin H/MAT1


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50423755
PNG
(CHEMBL609322)
Show SMILES Cc1nc2CCc3cnc(Nc4ccc(Cl)nc4)nc3-c2s1
Show InChI InChI=1S/C15H12ClN5S/c1-8-19-11-4-2-9-6-18-15(21-13(9)14(11)22-8)20-10-3-5-12(16)17-7-10/h3,5-7H,2,4H2,1H3,(H,18,20,21)
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1.20E+3n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK9/CyclinT1


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50423755
PNG
(CHEMBL609322)
Show SMILES Cc1nc2CCc3cnc(Nc4ccc(Cl)nc4)nc3-c2s1
Show InChI InChI=1S/C15H12ClN5S/c1-8-19-11-4-2-9-6-18-15(21-13(9)14(11)22-8)20-10-3-5-12(16)17-7-10/h3,5-7H,2,4H2,1H3,(H,18,20,21)
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1.40E+3n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK7/Cyclin H/MAT1


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50423768
PNG
(CHEMBL606176)
Show SMILES CN(c1cccc(c1)[N+]([O-])=O)c1ncc2CCc3nc(C)sc3-c2n1
Show InChI InChI=1S/C17H15N5O2S/c1-10-19-14-7-6-11-9-18-17(20-15(11)16(14)25-10)21(2)12-4-3-5-13(8-12)22(23)24/h3-5,8-9H,6-7H2,1-2H3
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1.80E+3n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK7/Cyclin H/MAT1


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50423766
PNG
(CHEMBL599805)
Show SMILES Cc1nc2CCc3cnc(Nc4ccc(cc4)C(F)(F)F)nc3-c2s1
Show InChI InChI=1S/C17H13F3N4S/c1-9-22-13-7-2-10-8-21-16(24-14(10)15(13)25-9)23-12-5-3-11(4-6-12)17(18,19)20/h3-6,8H,2,7H2,1H3,(H,21,23,24)
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1.90E+3n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK9/CyclinT1


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50423763
PNG
(CHEMBL601705)
Show SMILES Cc1nc2CCc3cnc(Nc4ccccc4)nc3-c2s1
Show InChI InChI=1S/C16H14N4S/c1-10-18-13-8-7-11-9-17-16(20-14(11)15(13)21-10)19-12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3,(H,17,19,20)
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2.20E+3n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK7/Cyclin H/MAT1


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50423757
PNG
(CHEMBL609915)
Show SMILES CN(C)c1ccc(Nc2ncc3CCc4nc(C)sc4-c3n2)cc1
Show InChI InChI=1S/C18H19N5S/c1-11-20-15-9-4-12-10-19-18(22-16(12)17(15)24-11)21-13-5-7-14(8-6-13)23(2)3/h5-8,10H,4,9H2,1-3H3,(H,19,21,22)
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2.50E+3n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK1/Cyclin B


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50423768
PNG
(CHEMBL606176)
Show SMILES CN(c1cccc(c1)[N+]([O-])=O)c1ncc2CCc3nc(C)sc3-c2n1
Show InChI InChI=1S/C17H15N5O2S/c1-10-19-14-7-6-11-9-18-17(20-15(11)16(14)25-10)21(2)12-4-3-5-13(8-12)22(23)24/h3-5,8-9H,6-7H2,1-2H3
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2.70E+3n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK1/Cyclin B


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50423761
PNG
(CHEMBL599806)
Show SMILES Cc1nc2CCc3cnc(Nc4ccc(cc4)[N+]([O-])=O)nc3-c2s1
Show InChI InChI=1S/C16H13N5O2S/c1-9-18-13-7-2-10-8-17-16(20-14(10)15(13)24-9)19-11-3-5-12(6-4-11)21(22)23/h3-6,8H,2,7H2,1H3,(H,17,19,20)
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4.80E+3n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK7/Cyclin H/MAT1


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50423765
PNG
(CHEMBL601088)
Show SMILES COC(=O)c1ccc(Nc2ncc3CCc4nc(C)sc4-c3n2)cc1
Show InChI InChI=1S/C18H16N4O2S/c1-10-20-14-8-5-12-9-19-18(22-15(12)16(14)25-10)21-13-6-3-11(4-7-13)17(23)24-2/h3-4,6-7,9H,5,8H2,1-2H3,(H,19,21,22)
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6.30E+3n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK7/Cyclin H/MAT1


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50423770
PNG
(CHEMBL611074)
Show SMILES Cc1nc2CCc3cnc(N)nc3-c2s1
Show InChI InChI=1S/C10H10N4S/c1-5-13-7-3-2-6-4-12-10(11)14-8(6)9(7)15-5/h4H,2-3H2,1H3,(H2,11,12,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK9/CyclinT1


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50423766
PNG
(CHEMBL599805)
Show SMILES Cc1nc2CCc3cnc(Nc4ccc(cc4)C(F)(F)F)nc3-c2s1
Show InChI InChI=1S/C17H13F3N4S/c1-9-22-13-7-2-10-8-21-16(24-14(10)15(13)25-9)23-12-5-3-11(4-6-12)17(18,19)20/h3-6,8H,2,7H2,1H3,(H,21,23,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK7/Cyclin H/MAT1


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50423770
PNG
(CHEMBL611074)
Show SMILES Cc1nc2CCc3cnc(N)nc3-c2s1
Show InChI InChI=1S/C10H10N4S/c1-5-13-7-3-2-6-4-12-10(11)14-8(6)9(7)15-5/h4H,2-3H2,1H3,(H2,11,12,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK1/Cyclin B


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50423770
PNG
(CHEMBL611074)
Show SMILES Cc1nc2CCc3cnc(N)nc3-c2s1
Show InChI InChI=1S/C10H10N4S/c1-5-13-7-3-2-6-4-12-10(11)14-8(6)9(7)15-5/h4H,2-3H2,1H3,(H2,11,12,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK7/Cyclin H/MAT1


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50423768
PNG
(CHEMBL606176)
Show SMILES CN(c1cccc(c1)[N+]([O-])=O)c1ncc2CCc3nc(C)sc3-c2n1
Show InChI InChI=1S/C17H15N5O2S/c1-10-19-14-7-6-11-9-18-17(20-15(11)16(14)25-10)21(2)12-4-3-5-13(8-12)22(23)24/h3-5,8-9H,6-7H2,1-2H3
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1.20E+4n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK9/CyclinT1


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50423764
PNG
(CHEMBL598993)
Show SMILES Cc1nc2CCc3cnc(Nc4ccc(cc4)N4CCOCC4)nc3-c2s1
Show InChI InChI=1S/C20H21N5OS/c1-13-22-17-7-2-14-12-21-20(24-18(14)19(17)27-13)23-15-3-5-16(6-4-15)25-8-10-26-11-9-25/h3-6,12H,2,7-11H2,1H3,(H,21,23,24)
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1.50E+4n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK1/Cyclin B


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair