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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 341.2
BDBM7283

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 hits in this display   
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
Glycogen synthase kinase-3 beta


(Rattus norvegicus (rat))
BDBM7283
PNG
(14-bromo-18-methyl-8,18-diazatetracyclo[9.7.0.0^{2...)
Show SMILES Cn1c-2c(CC(=O)Nc3ccccc-23)c2cc(Br)ccc12
Show InChI InChI=1S/C17H13BrN2O/c1-20-15-7-6-10(18)8-12(15)13-9-16(21)19-14-5-3-2-4-11(14)17(13)20/h2-8H,9H2,1H3,(H,19,21)
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n/an/a 400n/an/an/an/an/a30



CNRS



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


Eur J Biochem 267: 5983-94 (2000)


Article DOI: 10.1046/j.1432-1327.2000.01673.x
BindingDB Entry DOI: 10.7270/Q2CR5RJS
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM7283
PNG
(14-bromo-18-methyl-8,18-diazatetracyclo[9.7.0.0^{2...)
Show SMILES Cn1c-2c(CC(=O)Nc3ccccc-23)c2cc(Br)ccc12
Show InChI InChI=1S/C17H13BrN2O/c1-20-15-7-6-10(18)8-12(15)13-9-16(21)19-14-5-3-2-4-11(14)17(13)20/h2-8H,9H2,1H3,(H,19,21)
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n/an/a 400n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta expressed in insect Sf9 cells


Eur J Med Chem 45: 335-42 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.018
BindingDB Entry DOI: 10.7270/Q26W9C1V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM7283
PNG
(14-bromo-18-methyl-8,18-diazatetracyclo[9.7.0.0^{2...)
Show SMILES Cn1c-2c(CC(=O)Nc3ccccc-23)c2cc(Br)ccc12
Show InChI InChI=1S/C17H13BrN2O/c1-20-15-7-6-10(18)8-12(15)13-9-16(21)19-14-5-3-2-4-11(14)17(13)20/h2-8H,9H2,1H3,(H,19,21)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B expressed in M phase starfish oocyte


Eur J Med Chem 45: 335-42 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.018
BindingDB Entry DOI: 10.7270/Q26W9C1V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM7283
PNG
(14-bromo-18-methyl-8,18-diazatetracyclo[9.7.0.0^{2...)
Show SMILES Cn1c-2c(CC(=O)Nc3ccccc-23)c2cc(Br)ccc12
Show InChI InChI=1S/C17H13BrN2O/c1-20-15-7-6-10(18)8-12(15)13-9-16(21)19-14-5-3-2-4-11(14)17(13)20/h2-8H,9H2,1H3,(H,19,21)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Universität Hamburg

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cyclin-dependent kinase 1-cyclin B (Cyclin-Dependent Kinase) harvested from starfish oocytes.


J Med Chem 42: 2909-19 (1999)


Article DOI: 10.1021/jm9900570
BindingDB Entry DOI: 10.7270/Q21C1W2R
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7283
PNG
(14-bromo-18-methyl-8,18-diazatetracyclo[9.7.0.0^{2...)
Show SMILES Cn1c-2c(CC(=O)Nc3ccccc-23)c2cc(Br)ccc12
Show InChI InChI=1S/C17H13BrN2O/c1-20-15-7-6-10(18)8-12(15)13-9-16(21)19-14-5-3-2-4-11(14)17(13)20/h2-8H,9H2,1H3,(H,19,21)
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n/an/a 6.20E+3n/an/an/an/an/a30



CNRS



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


Eur J Biochem 267: 5983-94 (2000)


Article DOI: 10.1046/j.1432-1327.2000.01673.x
BindingDB Entry DOI: 10.7270/Q2CR5RJS
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 [99-307]


(Homo sapiens (Human))
BDBM7283
PNG
(14-bromo-18-methyl-8,18-diazatetracyclo[9.7.0.0^{2...)
Show SMILES Cn1c-2c(CC(=O)Nc3ccccc-23)c2cc(Br)ccc12
Show InChI InChI=1S/C17H13BrN2O/c1-20-15-7-6-10(18)8-12(15)13-9-16(21)19-14-5-3-2-4-11(14)17(13)20/h2-8H,9H2,1H3,(H,19,21)
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Article
PubMed
n/an/a 4.00E+5n/an/an/an/an/a30



CNRS



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


Eur J Biochem 267: 5983-94 (2000)


Article DOI: 10.1046/j.1432-1327.2000.01673.x
BindingDB Entry DOI: 10.7270/Q2CR5RJS
More data for this
Ligand-Target Pair