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Compile Data Set for Download or QSAR

Found 36 hits from De Montfort University   
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 4 (CDK4)


(Homo sapiens (human))
BDBM50188069
PNG
(12-oxo-10,12-dihydro-10-aza-4b-azonia-indeno[2,1-b...)
Show SMILES O=C1c2ccccc2-n2cc3c(cc12)[nH+]c1ccccc31
Show InChI InChI=1S/C18H10N2O/c21-18-12-6-2-4-8-16(12)20-10-13-11-5-1-3-7-14(11)19-15(13)9-17(18)20/h1-10H/p+1
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n/an/a 410n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of Cdk4/Cyclin D1


Bioorg Med Chem Lett 16: 4272-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.065
BindingDB Entry DOI: 10.7270/Q2H41R1K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(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 6.20E+3n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of Cdk4/Cyclin D1


Bioorg Med Chem Lett 16: 4272-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.065
BindingDB Entry DOI: 10.7270/Q2H41R1K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50188075
PNG
(CHEMBL378617 | N-(2-(1H-indol-3-yl)ethyl)-4-bromo-...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C18H17BrN2O/c1-21(18(22)13-6-8-15(19)9-7-13)11-10-14-12-20-17-5-3-2-4-16(14)17/h2-9,12,20H,10-11H2,1H3
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n/an/a 3.70E+4n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of Cdk4/Cyclin D1


Bioorg Med Chem Lett 16: 4272-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.065
BindingDB Entry DOI: 10.7270/Q2H41R1K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50188066
PNG
(CHEMBL213302 | N-(2-(1H-indol-3-yl)ethyl)-4-chloro...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H17ClN2O/c1-21(18(22)13-6-8-15(19)9-7-13)11-10-14-12-20-17-5-3-2-4-16(14)17/h2-9,12,20H,10-11H2,1H3
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n/an/a 3.80E+4n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of Cdk4/Cyclin D1


Bioorg Med Chem Lett 16: 4272-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.065
BindingDB Entry DOI: 10.7270/Q2H41R1K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50188073
PNG
(CHEMBL209433 | N-(2-(1H-indol-3-yl)ethyl)-2-chloro...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C18H17ClN2O/c1-21(18(22)15-7-2-4-8-16(15)19)11-10-13-12-20-17-9-5-3-6-14(13)17/h2-9,12,20H,10-11H2,1H3
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n/an/a 4.60E+4n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of Cdk4/Cyclin D1


Bioorg Med Chem Lett 16: 4272-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.065
BindingDB Entry DOI: 10.7270/Q2H41R1K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50188064
PNG
(CHEMBL209467 | N-(2-(1H-indol-3-yl)ethyl)-4-tert-b...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H26N2O/c1-22(2,3)18-11-9-16(10-12-18)21(25)24(4)14-13-17-15-23-20-8-6-5-7-19(17)20/h5-12,15,23H,13-14H2,1-4H3
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n/an/a 4.90E+4n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of Cdk4/Cyclin D1


Bioorg Med Chem Lett 16: 4272-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.065
BindingDB Entry DOI: 10.7270/Q2H41R1K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50188068
PNG
(CHEMBL213449 | N-(2-(1H-indol-3-yl)ethyl)-4-fluoro...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN2O/c1-21(18(22)13-6-8-15(19)9-7-13)11-10-14-12-20-17-5-3-2-4-16(14)17/h2-9,12,20H,10-11H2,1H3
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n/an/a 5.90E+4n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of Cdk4/Cyclin D1


Bioorg Med Chem Lett 16: 4272-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.065
BindingDB Entry DOI: 10.7270/Q2H41R1K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50188078
PNG
(CHEMBL377131 | N-(2-(1H-indol-3-yl)ethyl)-N,4-dime...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C19H20N2O/c1-14-7-9-15(10-8-14)19(22)21(2)12-11-16-13-20-18-6-4-3-5-17(16)18/h3-10,13,20H,11-12H2,1-2H3
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n/an/a 6.30E+4n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of Cdk4/Cyclin D1


Bioorg Med Chem Lett 16: 4272-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.065
BindingDB Entry DOI: 10.7270/Q2H41R1K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50188072
PNG
(CHEMBL209972 | N-(2-(1H-indol-3-yl)ethyl)-3-bromo-...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1cccc(Br)c1
Show InChI InChI=1S/C18H17BrN2O/c1-21(18(22)13-5-4-6-15(19)11-13)10-9-14-12-20-17-8-3-2-7-16(14)17/h2-8,11-12,20H,9-10H2,1H3
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n/an/a 7.40E+4n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of Cdk4/Cyclin D1


Bioorg Med Chem Lett 16: 4272-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.065
BindingDB Entry DOI: 10.7270/Q2H41R1K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50188067
PNG
(CHEMBL376003 | N-(2-(1H-indol-3-yl)ethyl)-N,3-dime...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1cccc(C)c1
Show InChI InChI=1S/C19H20N2O/c1-14-6-5-7-15(12-14)19(22)21(2)11-10-16-13-20-18-9-4-3-8-17(16)18/h3-9,12-13,20H,10-11H2,1-2H3
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n/an/a 7.80E+4n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of Cdk4/Cyclin D1


Bioorg Med Chem Lett 16: 4272-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.065
BindingDB Entry DOI: 10.7270/Q2H41R1K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50188079
PNG
(CHEMBL213036 | N-(2-(1H-indol-3-yl)ethyl)-2-methox...)
Show SMILES COc1ccccc1C(=O)N(C)CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C19H20N2O2/c1-21(19(22)16-8-4-6-10-18(16)23-2)12-11-14-13-20-17-9-5-3-7-15(14)17/h3-10,13,20H,11-12H2,1-2H3
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n/an/a 7.90E+4n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of Cdk4/Cyclin D1


Bioorg Med Chem Lett 16: 4272-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.065
BindingDB Entry DOI: 10.7270/Q2H41R1K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50188081
PNG
(CHEMBL213032 | N-(2-(1H-indol-3-yl)ethyl)-3-methox...)
Show SMILES COc1cccc(c1)C(=O)N(C)CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C19H20N2O2/c1-21(19(22)14-6-5-7-16(12-14)23-2)11-10-15-13-20-18-9-4-3-8-17(15)18/h3-9,12-13,20H,10-11H2,1-2H3
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n/an/a 8.10E+4n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of Cdk4/Cyclin D1


Bioorg Med Chem Lett 16: 4272-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.065
BindingDB Entry DOI: 10.7270/Q2H41R1K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50188070
PNG
(CHEMBL211622 | N-(2-(1H-indol-3-yl)ethyl)-3-fluoro...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C18H17FN2O/c1-21(18(22)13-5-4-6-15(19)11-13)10-9-14-12-20-17-8-3-2-7-16(14)17/h2-8,11-12,20H,9-10H2,1H3
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n/an/a 8.80E+4n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of Cdk4/Cyclin D1


Bioorg Med Chem Lett 16: 4272-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.065
BindingDB Entry DOI: 10.7270/Q2H41R1K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50188074
PNG
(CHEMBL212768 | N-(2-(1H-indol-3-yl)ethyl)-N-methyl...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C18H18N2O/c1-20(18(21)14-7-3-2-4-8-14)12-11-15-13-19-17-10-6-5-9-16(15)17/h2-10,13,19H,11-12H2,1H3
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n/an/a 8.80E+4n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of Cdk4/Cyclin D1


Bioorg Med Chem Lett 16: 4272-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.065
BindingDB Entry DOI: 10.7270/Q2H41R1K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50188077
PNG
(CHEMBL211636 | N-(2-(1H-indol-3-yl)ethyl)-2-bromo-...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1ccccc1Br
Show InChI InChI=1S/C18H17BrN2O/c1-21(18(22)15-7-2-4-8-16(15)19)11-10-13-12-20-17-9-5-3-6-14(13)17/h2-9,12,20H,10-11H2,1H3
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n/an/a 9.50E+4n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of Cdk4/Cyclin D1


Bioorg Med Chem Lett 16: 4272-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.065
BindingDB Entry DOI: 10.7270/Q2H41R1K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50188065
PNG
(CHEMBL374207 | N-(2-(1H-indol-3-yl)ethyl)-2-fluoro...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1ccccc1F
Show InChI InChI=1S/C18H17FN2O/c1-21(18(22)15-7-2-4-8-16(15)19)11-10-13-12-20-17-9-5-3-6-14(13)17/h2-9,12,20H,10-11H2,1H3
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n/an/a 1.03E+5n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of Cdk4/Cyclin D1


Bioorg Med Chem Lett 16: 4272-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.065
BindingDB Entry DOI: 10.7270/Q2H41R1K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50188076
PNG
(CHEMBL214188 | N-(2-(1H-indol-3-yl)ethyl)-3-chloro...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H17ClN2O/c1-21(18(22)13-5-4-6-15(19)11-13)10-9-14-12-20-17-8-3-2-7-16(14)17/h2-8,11-12,20H,9-10H2,1H3
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n/an/a 1.09E+5n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of Cdk4/Cyclin D1


Bioorg Med Chem Lett 16: 4272-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.065
BindingDB Entry DOI: 10.7270/Q2H41R1K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50188080
PNG
(CHEMBL214008 | N-(2-(1H-indol-3-yl)ethyl)-N,2-dime...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1ccccc1C
Show InChI InChI=1S/C19H20N2O/c1-14-7-3-4-8-16(14)19(22)21(2)12-11-15-13-20-18-10-6-5-9-17(15)18/h3-10,13,20H,11-12H2,1-2H3
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n/an/a 1.13E+5n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of Cdk4/Cyclin D1


Bioorg Med Chem Lett 16: 4272-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.065
BindingDB Entry DOI: 10.7270/Q2H41R1K
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50188069
PNG
(12-oxo-10,12-dihydro-10-aza-4b-azonia-indeno[2,1-b...)
Show SMILES O=C1c2ccccc2-n2cc3c(cc12)[nH+]c1ccccc31
Show InChI InChI=1S/C18H10N2O/c21-18-12-6-2-4-8-16(12)20-10-13-11-5-1-3-7-14(11)19-15(13)9-17(18)20/h1-10H/p+1
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n/an/a>2.50E+5n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of Cdk2/Cyclin A


Bioorg Med Chem Lett 16: 4272-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.065
BindingDB Entry DOI: 10.7270/Q2H41R1K
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-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 5.21E+5n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of Cdk2/Cyclin A


Bioorg Med Chem Lett 16: 4272-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.065
BindingDB Entry DOI: 10.7270/Q2H41R1K
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50188075
PNG
(CHEMBL378617 | N-(2-(1H-indol-3-yl)ethyl)-4-bromo-...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C18H17BrN2O/c1-21(18(22)13-6-8-15(19)9-7-13)11-10-14-12-20-17-5-3-2-4-16(14)17/h2-9,12,20H,10-11H2,1H3
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n/an/a 5.80E+5n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of Cdk2/Cyclin A


Bioorg Med Chem Lett 16: 4272-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.065
BindingDB Entry DOI: 10.7270/Q2H41R1K
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50188077
PNG
(CHEMBL211636 | N-(2-(1H-indol-3-yl)ethyl)-2-bromo-...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1ccccc1Br
Show InChI InChI=1S/C18H17BrN2O/c1-21(18(22)15-7-2-4-8-16(15)19)11-10-13-12-20-17-9-5-3-6-14(13)17/h2-9,12,20H,10-11H2,1H3
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n/an/a 5.84E+5n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of Cdk2/Cyclin A


Bioorg Med Chem Lett 16: 4272-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.065
BindingDB Entry DOI: 10.7270/Q2H41R1K
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50188072
PNG
(CHEMBL209972 | N-(2-(1H-indol-3-yl)ethyl)-3-bromo-...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1cccc(Br)c1
Show InChI InChI=1S/C18H17BrN2O/c1-21(18(22)13-5-4-6-15(19)11-13)10-9-14-12-20-17-8-3-2-7-16(14)17/h2-8,11-12,20H,9-10H2,1H3
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n/an/a 6.35E+5n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of Cdk2/Cyclin A


Bioorg Med Chem Lett 16: 4272-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.065
BindingDB Entry DOI: 10.7270/Q2H41R1K
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50188064
PNG
(CHEMBL209467 | N-(2-(1H-indol-3-yl)ethyl)-4-tert-b...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H26N2O/c1-22(2,3)18-11-9-16(10-12-18)21(25)24(4)14-13-17-15-23-20-8-6-5-7-19(17)20/h5-12,15,23H,13-14H2,1-4H3
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n/an/a 6.58E+5n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of Cdk2/Cyclin A


Bioorg Med Chem Lett 16: 4272-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.065
BindingDB Entry DOI: 10.7270/Q2H41R1K
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50188066
PNG
(CHEMBL213302 | N-(2-(1H-indol-3-yl)ethyl)-4-chloro...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H17ClN2O/c1-21(18(22)13-6-8-15(19)9-7-13)11-10-14-12-20-17-5-3-2-4-16(14)17/h2-9,12,20H,10-11H2,1H3
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n/an/a 7.31E+5n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of Cdk2/Cyclin A


Bioorg Med Chem Lett 16: 4272-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.065
BindingDB Entry DOI: 10.7270/Q2H41R1K
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50188070
PNG
(CHEMBL211622 | N-(2-(1H-indol-3-yl)ethyl)-3-fluoro...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C18H17FN2O/c1-21(18(22)13-5-4-6-15(19)11-13)10-9-14-12-20-17-8-3-2-7-16(14)17/h2-8,11-12,20H,9-10H2,1H3
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n/an/a 7.65E+5n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of Cdk2/Cyclin A


Bioorg Med Chem Lett 16: 4272-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.065
BindingDB Entry DOI: 10.7270/Q2H41R1K
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50188073
PNG
(CHEMBL209433 | N-(2-(1H-indol-3-yl)ethyl)-2-chloro...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C18H17ClN2O/c1-21(18(22)15-7-2-4-8-16(15)19)11-10-13-12-20-17-9-5-3-6-14(13)17/h2-9,12,20H,10-11H2,1H3
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n/an/a 7.84E+5n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of Cdk2/Cyclin A


Bioorg Med Chem Lett 16: 4272-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.065
BindingDB Entry DOI: 10.7270/Q2H41R1K
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50188078
PNG
(CHEMBL377131 | N-(2-(1H-indol-3-yl)ethyl)-N,4-dime...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C19H20N2O/c1-14-7-9-15(10-8-14)19(22)21(2)12-11-16-13-20-18-6-4-3-5-17(16)18/h3-10,13,20H,11-12H2,1-2H3
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n/an/a 7.90E+5n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of Cdk2/Cyclin A


Bioorg Med Chem Lett 16: 4272-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.065
BindingDB Entry DOI: 10.7270/Q2H41R1K
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50188067
PNG
(CHEMBL376003 | N-(2-(1H-indol-3-yl)ethyl)-N,3-dime...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1cccc(C)c1
Show InChI InChI=1S/C19H20N2O/c1-14-6-5-7-15(12-14)19(22)21(2)11-10-16-13-20-18-9-4-3-8-17(16)18/h3-9,12-13,20H,10-11H2,1-2H3
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n/an/a 8.30E+5n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of Cdk2/Cyclin A


Bioorg Med Chem Lett 16: 4272-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.065
BindingDB Entry DOI: 10.7270/Q2H41R1K
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50188079
PNG
(CHEMBL213036 | N-(2-(1H-indol-3-yl)ethyl)-2-methox...)
Show SMILES COc1ccccc1C(=O)N(C)CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C19H20N2O2/c1-21(19(22)16-8-4-6-10-18(16)23-2)12-11-14-13-20-17-9-5-3-7-15(14)17/h3-10,13,20H,11-12H2,1-2H3
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n/an/a 8.49E+5n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of Cdk2/Cyclin A


Bioorg Med Chem Lett 16: 4272-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.065
BindingDB Entry DOI: 10.7270/Q2H41R1K
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50188068
PNG
(CHEMBL213449 | N-(2-(1H-indol-3-yl)ethyl)-4-fluoro...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN2O/c1-21(18(22)13-6-8-15(19)9-7-13)11-10-14-12-20-17-5-3-2-4-16(14)17/h2-9,12,20H,10-11H2,1H3
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n/an/a 8.50E+5n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of Cdk2/Cyclin A


Bioorg Med Chem Lett 16: 4272-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.065
BindingDB Entry DOI: 10.7270/Q2H41R1K
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50188081
PNG
(CHEMBL213032 | N-(2-(1H-indol-3-yl)ethyl)-3-methox...)
Show SMILES COc1cccc(c1)C(=O)N(C)CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C19H20N2O2/c1-21(19(22)14-6-5-7-16(12-14)23-2)11-10-15-13-20-18-9-4-3-8-17(15)18/h3-9,12-13,20H,10-11H2,1-2H3
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n/an/a 9.38E+5n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of Cdk2/Cyclin A


Bioorg Med Chem Lett 16: 4272-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.065
BindingDB Entry DOI: 10.7270/Q2H41R1K
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50188076
PNG
(CHEMBL214188 | N-(2-(1H-indol-3-yl)ethyl)-3-chloro...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H17ClN2O/c1-21(18(22)13-5-4-6-15(19)11-13)10-9-14-12-20-17-8-3-2-7-16(14)17/h2-8,11-12,20H,9-10H2,1H3
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n/an/a 1.12E+6n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of Cdk2/Cyclin A


Bioorg Med Chem Lett 16: 4272-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.065
BindingDB Entry DOI: 10.7270/Q2H41R1K
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50188080
PNG
(CHEMBL214008 | N-(2-(1H-indol-3-yl)ethyl)-N,2-dime...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1ccccc1C
Show InChI InChI=1S/C19H20N2O/c1-14-7-3-4-8-16(14)19(22)21(2)12-11-15-13-20-18-10-6-5-9-17(15)18/h3-10,13,20H,11-12H2,1-2H3
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n/an/a 1.13E+6n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of Cdk2/Cyclin A


Bioorg Med Chem Lett 16: 4272-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.065
BindingDB Entry DOI: 10.7270/Q2H41R1K
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50188065
PNG
(CHEMBL374207 | N-(2-(1H-indol-3-yl)ethyl)-2-fluoro...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1ccccc1F
Show InChI InChI=1S/C18H17FN2O/c1-21(18(22)15-7-2-4-8-16(15)19)11-10-13-12-20-17-9-5-3-6-14(13)17/h2-9,12,20H,10-11H2,1H3
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n/an/a 1.23E+6n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of Cdk2/Cyclin A


Bioorg Med Chem Lett 16: 4272-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.065
BindingDB Entry DOI: 10.7270/Q2H41R1K
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50188074
PNG
(CHEMBL212768 | N-(2-(1H-indol-3-yl)ethyl)-N-methyl...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C18H18N2O/c1-20(18(21)14-7-3-2-4-8-14)12-11-15-13-19-17-10-6-5-9-16(15)17/h2-10,13,19H,11-12H2,1H3
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n/an/a 1.52E+6n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of Cdk2/Cyclin A


Bioorg Med Chem Lett 16: 4272-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.065
BindingDB Entry DOI: 10.7270/Q2H41R1K
More data for this
Ligand-Target Pair