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Compile Data Set for Download or QSAR

Found 88 hits with Last Name = 'britton' and Initial = 'rg'   
Target/Host
(Institution)
LigandTarget/Host
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 4


(Homo sapiens (Human))
BDBM59087
PNG
(CHEMBL258765 | Fasca-plysi | Fascaplysin)
Show SMILES O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc34)c12
Show InChI InChI=1S/C18H10N2O/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20/h1-10H/p+1
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Article
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n/an/a 550n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50188071
PNG
(CHEMBL213805 | biphenyl-4-carboxylic acid [2-(1H-i...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H22N2O/c1-26(16-15-21-17-25-23-10-6-5-9-22(21)23)24(27)20-13-11-19(12-14-20)18-7-3-2-4-8-18/h2-14,17,25H,15-16H2,1H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50273105
PNG
((3,4-Dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(4'-me...)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
Show InChI InChI=1S/C25H22N2O/c1-17-6-8-18(9-7-17)19-10-12-20(13-11-19)25(28)27-15-14-22-21-4-2-3-5-23(21)26-24(22)16-27/h2-13,26H,14-16H2,1H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50272870
PNG
(CHEMBL498710 | N-(2-(1H-Indol-3-yl)ethyl)-4'-tert-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1ccc(cc1)C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C27H28N2O/c1-27(2,3)23-14-12-20(13-15-23)19-8-10-21(11-9-19)26(30)28-17-16-22-18-29-25-7-5-4-6-24(22)25/h4-15,18,29H,16-17H2,1-3H3,(H,28,30)
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n/an/a 9.20E+3n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50273041
PNG
((3,4-Dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(3'-me...)
Show SMILES Cc1cccc(c1)-c1cccc(c1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
Show InChI InChI=1S/C25H22N2O/c1-17-6-4-7-18(14-17)19-8-5-9-20(15-19)25(28)27-13-12-22-21-10-2-3-11-23(21)26-24(22)16-27/h2-11,14-15,26H,12-13,16H2,1H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50272800
PNG
(CHEMBL498521 | N-(2-(1H-Indol-3-yl)ethyl)-4'-tert-...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(cc1)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C28H30N2O/c1-28(2,3)24-15-13-21(14-16-24)20-9-11-22(12-10-20)27(31)30(4)18-17-23-19-29-26-8-6-5-7-25(23)26/h5-16,19,29H,17-18H2,1-4H3
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n/an/a 1.12E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50273074
PNG
((3,4-Dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(4'-fl...)
Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
Show InChI InChI=1S/C24H19FN2O/c25-19-11-9-17(10-12-19)16-5-7-18(8-6-16)24(28)27-14-13-21-20-3-1-2-4-22(20)26-23(21)15-27/h1-12,26H,13-15H2
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50272919
PNG
(CHEMBL456121 | N-(2-(1H-Indol-3-yl)ethyl)-3'-methy...)
Show SMILES Cc1cccc(c1)-c1ccccc1C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C24H22N2O/c1-17-7-6-8-18(15-17)20-9-2-3-11-22(20)24(27)25-14-13-19-16-26-23-12-5-4-10-21(19)23/h2-12,15-16,26H,13-14H2,1H3,(H,25,27)
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50272837
PNG
(CHEMBL496481 | N-(2-(1H-Indol-3-yl)ethyl)-4'-fluor...)
Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C23H19FN2O/c24-20-11-9-17(10-12-20)16-5-7-18(8-6-16)23(27)25-14-13-19-15-26-22-4-2-1-3-21(19)22/h1-12,15,26H,13-14H2,(H,25,27)
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50272836
PNG
(CHEMBL521733 | N-(2-(1H-Indol-3-yl)ethyl)biphenyl-...)
Show SMILES O=C(NCCc1c[nH]c2ccccc12)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H20N2O/c26-23(19-12-10-18(11-13-19)17-6-2-1-3-7-17)24-15-14-20-16-25-22-9-5-4-8-21(20)22/h1-13,16,25H,14-15H2,(H,24,26)
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50273076
PNG
((3,4-Dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(2'-fl...)
Show SMILES Fc1ccccc1-c1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
Show InChI InChI=1S/C24H19FN2O/c25-21-7-3-1-5-18(21)16-9-11-17(12-10-16)24(28)27-14-13-20-19-6-2-4-8-22(19)26-23(20)15-27/h1-12,26H,13-15H2
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50272838
PNG
(CHEMBL496482 | N-(2-(1H-Indol-3-yl)ethyl)-4'-methy...)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C24H22N2O/c1-17-6-8-18(9-7-17)19-10-12-20(13-11-19)24(27)25-15-14-21-16-26-23-5-3-2-4-22(21)23/h2-13,16,26H,14-15H2,1H3,(H,25,27)
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50273039
PNG
((3,4-Dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(2'-fl...)
Show SMILES Fc1ccccc1-c1cccc(c1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
Show InChI InChI=1S/C24H19FN2O/c25-21-10-3-1-8-18(21)16-6-5-7-17(14-16)24(28)27-13-12-20-19-9-2-4-11-22(19)26-23(20)15-27/h1-11,14,26H,12-13,15H2
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50272997
PNG
((3,4-Dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(2'-fl...)
Show SMILES Fc1ccccc1-c1ccccc1C(=O)N1CCc2c(C1)[nH]c1ccccc21
Show InChI InChI=1S/C24H19FN2O/c25-21-11-5-3-8-17(21)16-7-1-2-10-20(16)24(28)27-14-13-19-18-9-4-6-12-22(18)26-23(19)15-27/h1-12,26H,13-15H2
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n/an/a 1.90E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50272918
PNG
(CHEMBL456964 | N-(2-(1H-Indol-3-yl)ethyl)-3'-fluor...)
Show SMILES Fc1cccc(c1)-c1ccccc1C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C23H19FN2O/c24-18-7-5-6-16(14-18)19-8-1-2-10-21(19)23(27)25-13-12-17-15-26-22-11-4-3-9-20(17)22/h1-11,14-15,26H,12-13H2,(H,25,27)
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50272798
PNG
(CHEMBL498520 | N-(2-(1H-Indol-3-yl)ethyl)-4'-fluor...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H21FN2O/c1-27(15-14-20-16-26-23-5-3-2-4-22(20)23)24(28)19-8-6-17(7-9-19)18-10-12-21(25)13-11-18/h2-13,16,26H,14-15H2,1H3
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50273075
PNG
((3,4-Dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(3'-fl...)
Show SMILES Fc1cccc(c1)-c1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
Show InChI InChI=1S/C24H19FN2O/c25-19-5-3-4-18(14-19)16-8-10-17(11-9-16)24(28)27-13-12-21-20-6-1-2-7-22(20)26-23(21)15-27/h1-11,14,26H,12-13,15H2
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50273109
PNG
((3,4-Dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(2'-me...)
Show SMILES COc1ccccc1-c1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
Show InChI InChI=1S/C25H22N2O2/c1-29-24-9-5-3-6-19(24)17-10-12-18(13-11-17)25(28)27-15-14-21-20-7-2-4-8-22(20)26-23(21)16-27/h2-13,26H,14-16H2,1H3
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n/an/a 2.20E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50272995
PNG
((3,4-Dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(4'-fl...)
Show SMILES Fc1ccc(cc1)-c1ccccc1C(=O)N1CCc2c(C1)[nH]c1ccccc21
Show InChI InChI=1S/C24H19FN2O/c25-17-11-9-16(10-12-17)18-5-1-2-7-21(18)24(28)27-14-13-20-19-6-3-4-8-22(19)26-23(20)15-27/h1-12,26H,13-15H2
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n/an/a 2.30E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50272799
PNG
(CHEMBL525921 | N-(2-(1H-Indol-3-yl)ethyl)-N,4'-dim...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(cc1)-c1ccc(C)cc1
Show InChI InChI=1S/C25H24N2O/c1-18-7-9-19(10-8-18)20-11-13-21(14-12-20)25(28)27(2)16-15-22-17-26-24-6-4-3-5-23(22)24/h3-14,17,26H,15-16H2,1-2H3
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n/an/a 2.40E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50273040
PNG
((3,4-Dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(4'-me...)
Show SMILES Cc1ccc(cc1)-c1cccc(c1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
Show InChI InChI=1S/C25H22N2O/c1-17-9-11-18(12-10-17)19-5-4-6-20(15-19)25(28)27-14-13-22-21-7-2-3-8-23(21)26-24(22)16-27/h2-12,15,26H,13-14,16H2,1H3
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n/an/a 2.40E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50273106
PNG
((3,4-Dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(3'-me...)
Show SMILES Cc1cccc(c1)-c1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
Show InChI InChI=1S/C25H22N2O/c1-17-5-4-6-20(15-17)18-9-11-19(12-10-18)25(28)27-14-13-22-21-7-2-3-8-23(21)26-24(22)16-27/h2-12,15,26H,13-14,16H2,1H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50272999
PNG
((3,4-Dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(4'-fl...)
Show SMILES Fc1ccc(cc1)-c1cccc(c1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
Show InChI InChI=1S/C24H19FN2O/c25-19-10-8-16(9-11-19)17-4-3-5-18(14-17)24(28)27-13-12-21-20-6-1-2-7-22(20)26-23(21)15-27/h1-11,14,26H,12-13,15H2
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50272917
PNG
(CHEMBL456760 | N-(2-(1H-Indol-3-yl)ethyl)-2'-metho...)
Show SMILES COc1ccccc1-c1ccccc1C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C24H22N2O2/c1-28-23-13-7-5-10-20(23)19-9-2-3-11-21(19)24(27)25-15-14-17-16-26-22-12-6-4-8-18(17)22/h2-13,16,26H,14-15H2,1H3,(H,25,27)
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n/an/a 2.60E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50272998
PNG
((3,4-Dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(3'-me...)
Show SMILES Cc1cccc(c1)-c1ccccc1C(=O)N1CCc2c(C1)[nH]c1ccccc21
Show InChI InChI=1S/C25H22N2O/c1-17-7-6-8-18(15-17)19-9-2-3-11-22(19)25(28)27-14-13-21-20-10-4-5-12-23(20)26-24(21)16-27/h2-12,15,26H,13-14,16H2,1H3
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n/an/a 2.60E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50273141
PNG
(CHEMBL457179 | N-(2-(1H-Indol-3-yl)ethyl)-N-methyl...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C23H21N3O/c1-26(15-12-20-16-25-22-5-3-2-4-21(20)22)23(27)19-8-6-17(7-9-19)18-10-13-24-14-11-18/h2-11,13-14,16,25H,12,15H2,1H3
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n/an/a 2.60E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50273038
PNG
((3,4-Dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(3'-fl...)
Show SMILES Fc1cccc(c1)-c1cccc(c1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
Show InChI InChI=1S/C24H19FN2O/c25-19-8-4-6-17(14-19)16-5-3-7-18(13-16)24(28)27-12-11-21-20-9-1-2-10-22(20)26-23(21)15-27/h1-10,13-14,26H,11-12,15H2
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n/an/a 2.70E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50273108
PNG
((3,4-Dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(3'-me...)
Show SMILES COc1cccc(c1)-c1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
Show InChI InChI=1S/C25H22N2O2/c1-29-20-6-4-5-19(15-20)17-9-11-18(12-10-17)25(28)27-14-13-22-21-7-2-3-8-23(21)26-24(22)16-27/h2-12,15,26H,13-14,16H2,1H3
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n/an/a 2.80E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50273142
PNG
(CHEMBL515051 | N-(2-(1H-Indol-3-yl)ethyl)-3-(pyrid...)
Show SMILES O=C(NCCc1c[nH]c2ccccc12)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C22H19N3O/c26-22(17-6-3-5-16(13-17)18-7-4-11-23-14-18)24-12-10-19-15-25-21-9-2-1-8-20(19)21/h1-9,11,13-15,25H,10,12H2,(H,24,26)
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50273107
PNG
((3,4-Dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(2'-me...)
Show SMILES Cc1ccccc1-c1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
Show InChI InChI=1S/C25H22N2O/c1-17-6-2-3-7-20(17)18-10-12-19(13-11-18)25(28)27-15-14-22-21-8-4-5-9-23(21)26-24(22)16-27/h2-13,26H,14-16H2,1H3
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50273072
PNG
((3,4-Dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(3'-me...)
Show SMILES COc1cccc(c1)-c1cccc(c1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
Show InChI InChI=1S/C25H22N2O2/c1-29-20-9-5-7-18(15-20)17-6-4-8-19(14-17)25(28)27-13-12-22-21-10-2-3-11-23(21)26-24(22)16-27/h2-11,14-15,26H,12-13,16H2,1H3
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n/an/a 3.30E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50272996
PNG
((3,4-Dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(3'-fl...)
Show SMILES Fc1cccc(c1)-c1ccccc1C(=O)N1CCc2c(C1)[nH]c1ccccc21
Show InChI InChI=1S/C24H19FN2O/c25-17-7-5-6-16(14-17)18-8-1-2-10-21(18)24(28)27-13-12-20-19-9-3-4-11-22(19)26-23(20)15-27/h1-11,14,26H,12-13,15H2
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n/an/a 3.50E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50272835
PNG
(CHEMBL498705 | N-(2-(1H-Indol-3-yl)ethyl)-4'-pheny...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C30H26N2O/c1-32(20-19-27-21-31-29-10-6-5-9-28(27)29)30(33)26-17-15-25(16-18-26)24-13-11-23(12-14-24)22-7-3-2-4-8-22/h2-18,21,31H,19-20H2,1H3
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n/an/a 3.50E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50273144
PNG
((3,4-Dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(2-(py...)
Show SMILES O=C(N1CCc2c(C1)[nH]c1ccccc21)c1ccccc1-c1cccnc1
Show InChI InChI=1S/C23H19N3O/c27-23(20-9-2-1-7-17(20)16-6-5-12-24-14-16)26-13-11-19-18-8-3-4-10-21(18)25-22(19)15-26/h1-10,12,14,25H,11,13,15H2
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n/an/a 3.60E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50272874
PNG
(CHEMBL525530 | N-(2-(1H-Indol-3-yl)ethyl)-4'-tert-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1ccccc1C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C27H28N2O/c1-27(2,3)21-14-12-19(13-15-21)22-8-4-5-10-24(22)26(30)28-17-16-20-18-29-25-11-7-6-9-23(20)25/h4-15,18,29H,16-17H2,1-3H3,(H,28,30)
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n/an/a 3.80E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50272873
PNG
(CHEMBL497454 | N-(2-(1H-Indol-3-yl)ethyl)-4'-fluor...)
Show SMILES Fc1ccc(cc1)-c1ccccc1C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C23H19FN2O/c24-18-11-9-16(10-12-18)19-5-1-2-7-21(19)23(27)25-14-13-17-15-26-22-8-4-3-6-20(17)22/h1-12,15,26H,13-14H2,(H,25,27)
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n/an/a 3.80E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50273143
PNG
((3,4-Dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(2-(py...)
Show SMILES O=C(N1CCc2c(C1)[nH]c1ccccc21)c1ccccc1-c1ccncc1
Show InChI InChI=1S/C23H19N3O/c27-23(20-7-2-1-5-17(20)16-9-12-24-13-10-16)26-14-11-19-18-6-3-4-8-21(18)25-22(19)15-26/h1-10,12-13,25H,11,14-15H2
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n/an/a 3.90E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50272871
PNG
(CHEMBL527039 | N-(2-(1H-Indol-3-yl)ethyl)-4'-metho...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C24H22N2O2/c1-28-21-12-10-18(11-13-21)17-6-8-19(9-7-17)24(27)25-15-14-20-16-26-23-5-3-2-4-22(20)23/h2-13,16,26H,14-15H2,1H3,(H,25,27)
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n/an/a 4.80E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50272834
PNG
(CHEMBL525538 | N-(2-(1H-Indol-3-yl)ethyl)-4'-metho...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)C(=O)N(C)CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C25H24N2O2/c1-27(16-15-21-17-26-24-6-4-3-5-23(21)24)25(28)20-9-7-18(8-10-20)19-11-13-22(29-2)14-12-19/h3-14,17,26H,15-16H2,1-2H3
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n/an/a 4.90E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50272916
PNG
(CHEMBL456759 | N-(2-(1H-Indol-3-yl)ethyl)-3'-metho...)
Show SMILES COc1cccc(c1)-c1ccccc1C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C24H22N2O2/c1-28-19-8-6-7-17(15-19)20-9-2-3-11-22(20)24(27)25-14-13-18-16-26-23-12-5-4-10-21(18)23/h2-12,15-16,26H,13-14H2,1H3,(H,25,27)
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n/an/a 5.30E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50272799
PNG
(CHEMBL525921 | N-(2-(1H-Indol-3-yl)ethyl)-N,4'-dim...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(cc1)-c1ccc(C)cc1
Show InChI InChI=1S/C25H24N2O/c1-18-7-9-19(10-8-18)20-11-13-21(14-12-20)25(28)27(2)16-15-22-17-26-24-6-4-3-5-23(22)24/h3-14,17,26H,15-16H2,1-2H3
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n/an/a 7.00E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/GST-cyclin A expressed in Sf9 cells assessed as histone phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50273042
PNG
((3,4-Dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(2'-me...)
Show SMILES Cc1ccccc1-c1cccc(c1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
Show InChI InChI=1S/C25H22N2O/c1-17-7-2-3-10-20(17)18-8-6-9-19(15-18)25(28)27-14-13-22-21-11-4-5-12-23(21)26-24(22)16-27/h2-12,15,26H,13-14,16H2,1H3
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n/an/a 7.50E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50272915
PNG
(CHEMBL456965 | N-(2-(1H-Indol-3-yl)ethyl)-4'-metho...)
Show SMILES COc1ccc(cc1)-c1ccccc1C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C24H22N2O2/c1-28-19-12-10-17(11-13-19)20-6-2-3-8-22(20)24(27)25-15-14-18-16-26-23-9-5-4-7-21(18)23/h2-13,16,26H,14-15H2,1H3,(H,25,27)
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n/an/a 7.90E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50273073
PNG
(Biphenyl-3-yl(3,4-dihydro-1H-pyrido[3,4-b]indol-2(...)
Show SMILES COc1ccccc1-c1cccc(c1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
Show InChI InChI=1S/C25H22N2O2/c1-29-24-12-5-3-9-19(24)17-7-6-8-18(15-17)25(28)27-14-13-21-20-10-2-4-11-22(20)26-23(21)16-27/h2-12,15,26H,13-14,16H2,1H3
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n/an/a 7.90E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50272872
PNG
(CHEMBL498130 | N-(2-(1H-Indol-3-yl)ethyl)biphenyl-...)
Show SMILES O=C(NCCc1c[nH]c2ccccc12)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C23H20N2O/c26-23(19-10-6-9-18(15-19)17-7-2-1-3-8-17)24-14-13-20-16-25-22-12-5-4-11-21(20)22/h1-12,15-16,25H,13-14H2,(H,24,26)
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n/an/a 8.60E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50272835
PNG
(CHEMBL498705 | N-(2-(1H-Indol-3-yl)ethyl)-4'-pheny...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C30H26N2O/c1-32(20-19-27-21-31-29-10-6-5-9-28(27)29)30(33)26-17-15-25(16-18-26)24-13-11-23(12-14-24)22-7-3-2-4-8-22/h2-18,21,31H,19-20H2,1H3
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n/an/a 9.10E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/GST-cyclin A expressed in Sf9 cells assessed as histone phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50273141
PNG
(CHEMBL457179 | N-(2-(1H-Indol-3-yl)ethyl)-N-methyl...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C23H21N3O/c1-26(15-12-20-16-25-22-5-3-2-4-21(20)22)23(27)19-8-6-17(7-9-19)18-10-13-24-14-11-18/h2-11,13-14,16,25H,12,15H2,1H3
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n/an/a 9.20E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/GST-cyclin A expressed in Sf9 cells assessed as histone phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50273142
PNG
(CHEMBL515051 | N-(2-(1H-Indol-3-yl)ethyl)-3-(pyrid...)
Show SMILES O=C(NCCc1c[nH]c2ccccc12)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C22H19N3O/c26-22(17-6-3-5-16(13-17)18-7-4-11-23-14-18)24-12-10-19-15-25-21-9-2-1-8-20(19)21/h1-9,11,13-15,25H,10,12H2,(H,24,26)
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n/an/a 1.50E+5n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/GST-cyclin A expressed in Sf9 cells assessed as histone phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50272874
PNG
(CHEMBL525530 | N-(2-(1H-Indol-3-yl)ethyl)-4'-tert-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1ccccc1C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C27H28N2O/c1-27(2,3)21-14-12-19(13-15-21)22-8-4-5-10-24(22)26(30)28-17-16-20-18-29-25-11-7-6-9-23(20)25/h4-15,18,29H,16-17H2,1-3H3,(H,28,30)
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n/an/a 2.62E+5n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/GST-cyclin A expressed in Sf9 cells assessed as histone phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50272834
PNG
(CHEMBL525538 | N-(2-(1H-Indol-3-yl)ethyl)-4'-metho...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)C(=O)N(C)CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C25H24N2O2/c1-27(16-15-21-17-26-24-6-4-3-5-23(21)24)25(28)20-9-7-18(8-10-20)19-11-13-22(29-2)14-12-19/h3-14,17,26H,15-16H2,1-2H3
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n/an/a 2.89E+5n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/GST-cyclin A expressed in Sf9 cells assessed as histone phosphorylation


Bioorg Med Chem 16: 7728-39 (2008)


Article DOI: 10.1016/j.bmc.2008.07.002
BindingDB Entry DOI: 10.7270/Q2348K57
More data for this
Ligand-Target Pair
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