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BDBM7287 8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one::CHEMBL430574::NSC 641166::Paullone

SMILES: O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1

InChI Key: InChIKey=VGMDAWVZNAXVDG-UHFFFAOYSA-N

Data: 24 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 24 hits for monomerid = 7287   
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 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7287
PNG
(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)
Show SMILES O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
Show InChI InChI=1S/C16H12N2O/c19-15-9-12-10-5-1-3-7-13(10)18-16(12)11-6-2-4-8-14(11)17-15/h1-8,18H,9H2,(H,17,19)
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PubMed
n/an/a 7.00E+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
Adrenergic receptor alpha


(Rattus norvegicus (rat)-Rattus norvegicus (Rat)-RA...)
BDBM7287
PNG
(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)
Show SMILES O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
Show InChI InChI=1S/C16H12N2O/c19-15-9-12-10-5-1-3-7-13(10)18-16(12)11-6-2-4-8-14(11)17-15/h1-8,18H,9H2,(H,17,19)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Inhibitory activity by measuring its ability to displace [3H]clonidine from alpha-adrenergic receptor in rat brain


J Med Chem 36: 2908-20 (1993)


BindingDB Entry DOI: 10.7270/Q2C24VGV
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase-3, beta


(Rattus norvegicus (rat))
BDBM7287
PNG
(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)
Show SMILES O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
Show InChI InChI=1S/C16H12N2O/c19-15-9-12-10-5-1-3-7-13(10)18-16(12)11-6-2-4-8-14(11)17-15/h1-8,18H,9H2,(H,17,19)
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n/an/a 620n/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
CCKBR


(RAT)
BDBM7287
PNG
(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)
Show SMILES O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
Show InChI InChI=1S/C16H12N2O/c19-15-9-12-10-5-1-3-7-13(10)18-16(12)11-6-2-4-8-14(11)17-15/h1-8,18H,9H2,(H,17,19)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Inhibitory activity by measuring its ability to displace [3H]L-365,260 from cholecystokinin receptor in rat brain


J Med Chem 36: 2908-20 (1993)


BindingDB Entry DOI: 10.7270/Q2C24VGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM7287
PNG
(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)
Show SMILES O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
Show InChI InChI=1S/C16H12N2O/c19-15-9-12-10-5-1-3-7-13(10)18-16(12)11-6-2-4-8-14(11)17-15/h1-8,18H,9H2,(H,17,19)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Inhibitory activity, measured by displacement [3H]-CP-55,940 from cannabinoid receptor (CB1) in rat brain


J Med Chem 36: 2908-20 (1993)


BindingDB Entry DOI: 10.7270/Q2C24VGV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM7287
PNG
(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)
Show SMILES O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
Show InChI InChI=1S/C16H12N2O/c19-15-9-12-10-5-1-3-7-13(10)18-16(12)11-6-2-4-8-14(11)17-15/h1-8,18H,9H2,(H,17,19)
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n/an/a 7.00E+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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM7287
PNG
(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)
Show SMILES O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
Show InChI InChI=1S/C16H12N2O/c19-15-9-12-10-5-1-3-7-13(10)18-16(12)11-6-2-4-8-14(11)17-15/h1-8,18H,9H2,(H,17,19)
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n/an/a 4n/an/an/an/an/an/a



Central University

Curated by ChEMBL


Assay Description
Competitive inhibition of glycogen synthase kinase-3 beta (unknown origin) using GS-1 as substrate after 30 mins by scintillation counting analysis i...


Eur J Med Chem 107: 63-81 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8PH8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7287
PNG
(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)
Show SMILES O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
Show InChI InChI=1S/C16H12N2O/c19-15-9-12-10-5-1-3-7-13(10)18-16(12)11-6-2-4-8-14(11)17-15/h1-8,18H,9H2,(H,17,19)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK2/cyclin A assessed as incorporation of [gamma-33P]-ATP into histone H1 substrate after 30 mins by scintillation c...


Bioorg Med Chem Lett 20: 4940-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.024
BindingDB Entry DOI: 10.7270/Q21836T2
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7287
PNG
(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)
Show SMILES O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
Show InChI InChI=1S/C16H12N2O/c19-15-9-12-10-5-1-3-7-13(10)18-16(12)11-6-2-4-8-14(11)17-15/h1-8,18H,9H2,(H,17,19)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 assessed as incorporation of [gamma-33P]-ATP into histone H1 substrate after 30 mins by scintillation counti...


Bioorg Med Chem Lett 20: 4940-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.024
BindingDB Entry DOI: 10.7270/Q21836T2
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM7287
PNG
(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)
Show SMILES O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
Show InChI InChI=1S/C16H12N2O/c19-15-9-12-10-5-1-3-7-13(10)18-16(12)11-6-2-4-8-14(11)17-15/h1-8,18H,9H2,(H,17,19)
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n/an/a 810n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK9/cyclin T expressed in insect cells assessed as incorporation of [gamma-33P]-ATP in to pRB fragment (773 to 928) ...


Bioorg Med Chem Lett 20: 4940-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.024
BindingDB Entry DOI: 10.7270/Q21836T2
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM7287
PNG
(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)
Show SMILES O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
Show InChI InChI=1S/C16H12N2O/c19-15-9-12-10-5-1-3-7-13(10)18-16(12)11-6-2-4-8-14(11)17-15/h1-8,18H,9H2,(H,17,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 assessed as incorporation of [gamma-33P]-ATP into RRKHAAIGpSAYSITA substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4940-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.024
BindingDB Entry DOI: 10.7270/Q21836T2
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM7287
PNG
(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)
Show SMILES O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
Show InChI InChI=1S/C16H12N2O/c19-15-9-12-10-5-1-3-7-13(10)18-16(12)11-6-2-4-8-14(11)17-15/h1-8,18H,9H2,(H,17,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of CLK1


Bioorg Med Chem Lett 20: 4940-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.024
BindingDB Entry DOI: 10.7270/Q21836T2
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM7287
PNG
(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)
Show SMILES O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
Show InChI InChI=1S/C16H12N2O/c19-15-9-12-10-5-1-3-7-13(10)18-16(12)11-6-2-4-8-14(11)17-15/h1-8,18H,9H2,(H,17,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-fused DYRK1A expressed in Escherichia coli assessed as assessed as incorporation of [gamma-33P]-ATP into myelin bas...


Bioorg Med Chem Lett 20: 4940-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.024
BindingDB Entry DOI: 10.7270/Q21836T2
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Plasmodium falciparum (isolate 3D7))
BDBM7287
PNG
(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)
Show SMILES O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
Show InChI InChI=1S/C16H12N2O/c19-15-9-12-10-5-1-3-7-13(10)18-16(12)11-6-2-4-8-14(11)17-15/h1-8,18H,9H2,(H,17,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum GSK3


Bioorg Med Chem Lett 20: 4940-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.024
BindingDB Entry DOI: 10.7270/Q21836T2
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM7287
PNG
(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)
Show SMILES O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
Show InChI InChI=1S/C16H12N2O/c19-15-9-12-10-5-1-3-7-13(10)18-16(12)11-6-2-4-8-14(11)17-15/h1-8,18H,9H2,(H,17,19)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem Lett 20: 4940-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.024
BindingDB Entry DOI: 10.7270/Q21836T2
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM7287
PNG
(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)
Show SMILES O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
Show InChI InChI=1S/C16H12N2O/c19-15-9-12-10-5-1-3-7-13(10)18-16(12)11-6-2-4-8-14(11)17-15/h1-8,18H,9H2,(H,17,19)
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n/an/a 7.00E+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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM7287
PNG
(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)
Show SMILES O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
Show InChI InChI=1S/C16H12N2O/c19-15-9-12-10-5-1-3-7-13(10)18-16(12)11-6-2-4-8-14(11)17-15/h1-8,18H,9H2,(H,17,19)
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n/an/a 620n/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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM7287
PNG
(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)
Show SMILES O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
Show InChI InChI=1S/C16H12N2O/c19-15-9-12-10-5-1-3-7-13(10)18-16(12)11-6-2-4-8-14(11)17-15/h1-8,18H,9H2,(H,17,19)
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n/an/a 100n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta assessed as [gamma33]ATP transfer to biotinylated CREB-peptide substrate after 1 hr by scintillation counti...


Bioorg Med Chem Lett 20: 1693-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.038
BindingDB Entry DOI: 10.7270/Q2ZK5HNS
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM7287
PNG
(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)
Show SMILES O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
Show InChI InChI=1S/C16H12N2O/c19-15-9-12-10-5-1-3-7-13(10)18-16(12)11-6-2-4-8-14(11)17-15/h1-8,18H,9H2,(H,17,19)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Inhibitory activity by measuring its ability to displace [3H]ketanserin from serotonin receptor in rat brain


J Med Chem 36: 2908-20 (1993)


BindingDB Entry DOI: 10.7270/Q2C24VGV
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM7287
PNG
(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)
Show SMILES O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
Show InChI InChI=1S/C16H12N2O/c19-15-9-12-10-5-1-3-7-13(10)18-16(12)11-6-2-4-8-14(11)17-15/h1-8,18H,9H2,(H,17,19)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]naxolone binding to opiate receptors in rat brain


J Med Chem 36: 2908-20 (1993)


BindingDB Entry DOI: 10.7270/Q2C24VGV
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat)-Rattus norvegicus (Rat)-RA...)
BDBM7287
PNG
(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)
Show SMILES O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
Show InChI InChI=1S/C16H12N2O/c19-15-9-12-10-5-1-3-7-13(10)18-16(12)11-6-2-4-8-14(11)17-15/h1-8,18H,9H2,(H,17,19)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Inhibitory activity by measuring its ability to displace [3H]WB-4101 from alpha-adrenergic receptor in rat brain


J Med Chem 36: 2908-20 (1993)


BindingDB Entry DOI: 10.7270/Q2C24VGV
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM7287
PNG
(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)
Show SMILES O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
Show InChI InChI=1S/C16H12N2O/c19-15-9-12-10-5-1-3-7-13(10)18-16(12)11-6-2-4-8-14(11)17-15/h1-8,18H,9H2,(H,17,19)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Tested for inhibitory activity by measuring its ability to displace [3H]3-PPP from opiate receptor in rat brain


J Med Chem 36: 2908-20 (1993)


BindingDB Entry DOI: 10.7270/Q2C24VGV
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM7287
PNG
(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)
Show SMILES O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
Show InChI InChI=1S/C16H12N2O/c19-15-9-12-10-5-1-3-7-13(10)18-16(12)11-6-2-4-8-14(11)17-15/h1-8,18H,9H2,(H,17,19)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Inhibitory activity by measuring its ability to displace [125I]pindolol from beta-adrenergic receptor in rat brain


J Med Chem 36: 2908-20 (1993)


BindingDB Entry DOI: 10.7270/Q2C24VGV
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7287
PNG
(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)
Show SMILES O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
Show InChI InChI=1S/C16H12N2O/c19-15-9-12-10-5-1-3-7-13(10)18-16(12)11-6-2-4-8-14(11)17-15/h1-8,18H,9H2,(H,17,19)
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Article
PubMed
n/an/a 1.01E+4n/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