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BDBM50366114 CHEMBL1957190

SMILES: CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12

InChI Key: InChIKey=DGOKKNPUISUUGY-UHFFFAOYSA-N

Data: 23 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50366114   
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
Aurora kinase B


(Homo sapiens (Human))
BDBM50366114
PNG
(CHEMBL1957190)
Show SMILES CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12
Show InChI InChI=1S/C18H17NO2/c1-10(2)19-13-8-5-9-14(20)15(13)16-17(19)11-6-3-4-7-12(11)18(16)21/h3-4,6-7,10H,5,8-9H2,1-2H3
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n/an/a>3.50E+4n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora-B expressed in Sf9 cells using tetra(LRRWSLG) as substrate after 80 mins by scintillation counting


Bioorg Med Chem 20: 2282-9 (2012)


Article DOI: 10.1016/j.bmc.2012.02.017
BindingDB Entry DOI: 10.7270/Q2J966T6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50366114
PNG
(CHEMBL1957190)
Show SMILES CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12
Show InChI InChI=1S/C18H17NO2/c1-10(2)19-13-8-5-9-14(20)15(13)16-17(19)11-6-3-4-7-12(11)18(16)21/h3-4,6-7,10H,5,8-9H2,1-2H3
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n/an/a>3.50E+4n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COT expressed in Sf9 cells assessed as autophosphorylation after 80 mins by scintillation counting


Bioorg Med Chem 20: 2282-9 (2012)


Article DOI: 10.1016/j.bmc.2012.02.017
BindingDB Entry DOI: 10.7270/Q2J966T6
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50366114
PNG
(CHEMBL1957190)
Show SMILES CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12
Show InChI InChI=1S/C18H17NO2/c1-10(2)19-13-8-5-9-14(20)15(13)16-17(19)11-6-3-4-7-12(11)18(16)21/h3-4,6-7,10H,5,8-9H2,1-2H3
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n/an/a>3.50E+4n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant INS-R expressed in Sf9 cells using poly(A,E,K,Y)6:2:5:1 as substrate after 80 mins by scintillation counting


Bioorg Med Chem 20: 2282-9 (2012)


Article DOI: 10.1016/j.bmc.2012.02.017
BindingDB Entry DOI: 10.7270/Q2J966T6
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50366114
PNG
(CHEMBL1957190)
Show SMILES CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12
Show InChI InChI=1S/C18H17NO2/c1-10(2)19-13-8-5-9-14(20)15(13)16-17(19)11-6-3-4-7-12(11)18(16)21/h3-4,6-7,10H,5,8-9H2,1-2H3
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n/an/a>3.50E+4n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK2/CyclinA expressed in Sf9 cells using histone H1 as substrate after 80 mins by scintillation counting


Bioorg Med Chem 20: 2282-9 (2012)


Article DOI: 10.1016/j.bmc.2012.02.017
BindingDB Entry DOI: 10.7270/Q2J966T6
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50366114
PNG
(CHEMBL1957190)
Show SMILES CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12
Show InChI InChI=1S/C18H17NO2/c1-10(2)19-13-8-5-9-14(20)15(13)16-17(19)11-6-3-4-7-12(11)18(16)21/h3-4,6-7,10H,5,8-9H2,1-2H3
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n/an/a 3.50E+4n/an/an/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method


J Med Chem 58: 265-77 (2015)


Article DOI: 10.1021/jm500943z
BindingDB Entry DOI: 10.7270/Q2V40WST
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50366114
PNG
(CHEMBL1957190)
Show SMILES CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12
Show InChI InChI=1S/C18H17NO2/c1-10(2)19-13-8-5-9-14(20)15(13)16-17(19)11-6-3-4-7-12(11)18(16)21/h3-4,6-7,10H,5,8-9H2,1-2H3
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n/an/a>3.50E+4n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AKT1 expressed in Sf9 cells using GSK3(14-27) as substrate after 80 mins by scintillation counting


Bioorg Med Chem 20: 2282-9 (2012)


Article DOI: 10.1016/j.bmc.2012.02.017
BindingDB Entry DOI: 10.7270/Q2J966T6
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))
BDBM50366114
PNG
(CHEMBL1957190)
Show SMILES CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12
Show InChI InChI=1S/C18H17NO2/c1-10(2)19-13-8-5-9-14(20)15(13)16-17(19)11-6-3-4-7-12(11)18(16)21/h3-4,6-7,10H,5,8-9H2,1-2H3
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n/an/a>3.50E+4n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ARK5 expressed in Sf9 cells assessed as autophosphorylation after 80 mins by scintillation counting


Bioorg Med Chem 20: 2282-9 (2012)


Article DOI: 10.1016/j.bmc.2012.02.017
BindingDB Entry DOI: 10.7270/Q2J966T6
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50366114
PNG
(CHEMBL1957190)
Show SMILES CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12
Show InChI InChI=1S/C18H17NO2/c1-10(2)19-13-8-5-9-14(20)15(13)16-17(19)11-6-3-4-7-12(11)18(16)21/h3-4,6-7,10H,5,8-9H2,1-2H3
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n/an/a>3.50E+4n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora-A expressed in Sf9 cells using tetra(LRRWSLG) as substrate after 80 mins by scintillation counting


Bioorg Med Chem 20: 2282-9 (2012)


Article DOI: 10.1016/j.bmc.2012.02.017
BindingDB Entry DOI: 10.7270/Q2J966T6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50366114
PNG
(CHEMBL1957190)
Show SMILES CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12
Show InChI InChI=1S/C18H17NO2/c1-10(2)19-13-8-5-9-14(20)15(13)16-17(19)11-6-3-4-7-12(11)18(16)21/h3-4,6-7,10H,5,8-9H2,1-2H3
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n/an/a>3.50E+4n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-RAF expressed in Sf9 cells using MEK1 KM as substrate after 80 mins by scintillation counting


Bioorg Med Chem 20: 2282-9 (2012)


Article DOI: 10.1016/j.bmc.2012.02.017
BindingDB Entry DOI: 10.7270/Q2J966T6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50366114
PNG
(CHEMBL1957190)
Show SMILES CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12
Show InChI InChI=1S/C18H17NO2/c1-10(2)19-13-8-5-9-14(20)15(13)16-17(19)11-6-3-4-7-12(11)18(16)21/h3-4,6-7,10H,5,8-9H2,1-2H3
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n/an/a>3.50E+4n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGF-R expressed in Sf9 cells using poly(E,Y)4:1 as substrate after 80 mins by scintillation counting


Bioorg Med Chem 20: 2282-9 (2012)


Article DOI: 10.1016/j.bmc.2012.02.017
BindingDB Entry DOI: 10.7270/Q2J966T6
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50366114
PNG
(CHEMBL1957190)
Show SMILES CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12
Show InChI InChI=1S/C18H17NO2/c1-10(2)19-13-8-5-9-14(20)15(13)16-17(19)11-6-3-4-7-12(11)18(16)21/h3-4,6-7,10H,5,8-9H2,1-2H3
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n/an/a>3.50E+4n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EPHB4 expressed in Sf9 cells using poly(E,Y)4:1 as substrate after 80 mins by scintillation counting


Bioorg Med Chem 20: 2282-9 (2012)


Article DOI: 10.1016/j.bmc.2012.02.017
BindingDB Entry DOI: 10.7270/Q2J966T6
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50366114
PNG
(CHEMBL1957190)
Show SMILES CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12
Show InChI InChI=1S/C18H17NO2/c1-10(2)19-13-8-5-9-14(20)15(13)16-17(19)11-6-3-4-7-12(11)18(16)21/h3-4,6-7,10H,5,8-9H2,1-2H3
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n/an/a>3.50E+4n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERBB2 expressed in Sf9 cells using poly(E,Y)4:1 as substrate after 80 mins by scintillation counting


Bioorg Med Chem 20: 2282-9 (2012)


Article DOI: 10.1016/j.bmc.2012.02.017
BindingDB Entry DOI: 10.7270/Q2J966T6
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50366114
PNG
(CHEMBL1957190)
Show SMILES CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12
Show InChI InChI=1S/C18H17NO2/c1-10(2)19-13-8-5-9-14(20)15(13)16-17(19)11-6-3-4-7-12(11)18(16)21/h3-4,6-7,10H,5,8-9H2,1-2H3
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n/an/a>3.50E+4n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAK expressed in Sf9 cells using poly(E,Y)4:1 as substrate after 80 mins by scintillation counting


Bioorg Med Chem 20: 2282-9 (2012)


Article DOI: 10.1016/j.bmc.2012.02.017
BindingDB Entry DOI: 10.7270/Q2J966T6
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50366114
PNG
(CHEMBL1957190)
Show SMILES CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12
Show InChI InChI=1S/C18H17NO2/c1-10(2)19-13-8-5-9-14(20)15(13)16-17(19)11-6-3-4-7-12(11)18(16)21/h3-4,6-7,10H,5,8-9H2,1-2H3
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n/an/a>3.50E+4n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IGF1R expressed in Sf9 cells using poly(E,Y)4:1 as substrate after 80 mins by scintillation counting


Bioorg Med Chem 20: 2282-9 (2012)


Article DOI: 10.1016/j.bmc.2012.02.017
BindingDB Entry DOI: 10.7270/Q2J966T6
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50366114
PNG
(CHEMBL1957190)
Show SMILES CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12
Show InChI InChI=1S/C18H17NO2/c1-10(2)19-13-8-5-9-14(20)15(13)16-17(19)11-6-3-4-7-12(11)18(16)21/h3-4,6-7,10H,5,8-9H2,1-2H3
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n/an/a>3.50E+4n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SRC expressed in Sf9 cells using poly(E,Y)4:1 as substrate after 80 mins by scintillation counting


Bioorg Med Chem 20: 2282-9 (2012)


Article DOI: 10.1016/j.bmc.2012.02.017
BindingDB Entry DOI: 10.7270/Q2J966T6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50366114
PNG
(CHEMBL1957190)
Show SMILES CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12
Show InChI InChI=1S/C18H17NO2/c1-10(2)19-13-8-5-9-14(20)15(13)16-17(19)11-6-3-4-7-12(11)18(16)21/h3-4,6-7,10H,5,8-9H2,1-2H3
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n/an/a>3.50E+4n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGF-R2 expressed in Sf9 cells using poly(E,Y)4:1 as substrate after 80 mins by scintillation counting


Bioorg Med Chem 20: 2282-9 (2012)


Article DOI: 10.1016/j.bmc.2012.02.017
BindingDB Entry DOI: 10.7270/Q2J966T6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50366114
PNG
(CHEMBL1957190)
Show SMILES CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12
Show InChI InChI=1S/C18H17NO2/c1-10(2)19-13-8-5-9-14(20)15(13)16-17(19)11-6-3-4-7-12(11)18(16)21/h3-4,6-7,10H,5,8-9H2,1-2H3
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n/an/a>3.50E+4n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGF-R3 expressed in Sf9 cells using poly(E,Y)4:1 as substrate after 80 mins by scintillation counting


Bioorg Med Chem 20: 2282-9 (2012)


Article DOI: 10.1016/j.bmc.2012.02.017
BindingDB Entry DOI: 10.7270/Q2J966T6
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50366114
PNG
(CHEMBL1957190)
Show SMILES CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12
Show InChI InChI=1S/C18H17NO2/c1-10(2)19-13-8-5-9-14(20)15(13)16-17(19)11-6-3-4-7-12(11)18(16)21/h3-4,6-7,10H,5,8-9H2,1-2H3
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n/an/a>3.50E+4n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MET expressed in Sf9 cells using poly(A,E,K,Y)6:2:5:1 as substrate after 80 mins by scintillation counting


Bioorg Med Chem 20: 2282-9 (2012)


Article DOI: 10.1016/j.bmc.2012.02.017
BindingDB Entry DOI: 10.7270/Q2J966T6
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50366114
PNG
(CHEMBL1957190)
Show SMILES CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12
Show InChI InChI=1S/C18H17NO2/c1-10(2)19-13-8-5-9-14(20)15(13)16-17(19)11-6-3-4-7-12(11)18(16)21/h3-4,6-7,10H,5,8-9H2,1-2H3
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n/an/a>3.50E+4n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRbeta expressed in Sf9 cells using poly(A,E,K,Y)6:2:5:1 as substrate after 80 mins by scintillation counting


Bioorg Med Chem 20: 2282-9 (2012)


Article DOI: 10.1016/j.bmc.2012.02.017
BindingDB Entry DOI: 10.7270/Q2J966T6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50366114
PNG
(CHEMBL1957190)
Show SMILES CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12
Show InChI InChI=1S/C18H17NO2/c1-10(2)19-13-8-5-9-14(20)15(13)16-17(19)11-6-3-4-7-12(11)18(16)21/h3-4,6-7,10H,5,8-9H2,1-2H3
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n/an/a>3.50E+4n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PLK1 expressed in Sf9 cells using casein as substrate after 80 mins by scintillation counting


Bioorg Med Chem 20: 2282-9 (2012)


Article DOI: 10.1016/j.bmc.2012.02.017
BindingDB Entry DOI: 10.7270/Q2J966T6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50366114
PNG
(CHEMBL1957190)
Show SMILES CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12
Show InChI InChI=1S/C18H17NO2/c1-10(2)19-13-8-5-9-14(20)15(13)16-17(19)11-6-3-4-7-12(11)18(16)21/h3-4,6-7,10H,5,8-9H2,1-2H3
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n/an/a>3.50E+4n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SAK expressed in Sf9 cells using p38alpha-KRKR as substrate after 80 mins by scintillation counting


Bioorg Med Chem 20: 2282-9 (2012)


Article DOI: 10.1016/j.bmc.2012.02.017
BindingDB Entry DOI: 10.7270/Q2J966T6
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50366114
PNG
(CHEMBL1957190)
Show SMILES CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12
Show InChI InChI=1S/C18H17NO2/c1-10(2)19-13-8-5-9-14(20)15(13)16-17(19)11-6-3-4-7-12(11)18(16)21/h3-4,6-7,10H,5,8-9H2,1-2H3
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n/an/a>3.50E+4n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TIE2 expressed in Sf9 cells using poly(E,Y)4:1 as substrate after 80 mins by scintillation counting


Bioorg Med Chem 20: 2282-9 (2012)


Article DOI: 10.1016/j.bmc.2012.02.017
BindingDB Entry DOI: 10.7270/Q2J966T6
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50366114
PNG
(CHEMBL1957190)
Show SMILES CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12
Show InChI InChI=1S/C18H17NO2/c1-10(2)19-13-8-5-9-14(20)15(13)16-17(19)11-6-3-4-7-12(11)18(16)21/h3-4,6-7,10H,5,8-9H2,1-2H3
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n/an/a>3.50E+4n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK4/CyclinD1 expressed in Sf9 cells using RB-CTF as substrate after 80 mins by scintillation counting


Bioorg Med Chem 20: 2282-9 (2012)


Article DOI: 10.1016/j.bmc.2012.02.017
BindingDB Entry DOI: 10.7270/Q2J966T6
More data for this
Ligand-Target Pair