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BDBM50346237 9-Oxy-5,12-dihydro-7H-5,9,12-triaza-dibenzo[a,e]azulen-6-one::CHEMBL1782170

SMILES: [O-][n+]1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1

InChI Key: InChIKey=QSSHEITWSXIQFH-UHFFFAOYSA-N

Data: 7 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50346237   
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 2 (CDK2)


(Homo sapiens (Human))
BDBM50346237
PNG
(9-Oxy-5,12-dihydro-7H-5,9,12-triaza-dibenzo[a,e]az...)
Show SMILES [O-][n+]1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Show InChI InChI=1S/C15H11N3O2/c19-14-7-10-11-8-18(20)6-5-13(11)17-15(10)9-3-1-2-4-12(9)16-14/h1-6,8,17H,7H2,(H,16,19)
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Article
PubMed
n/an/a 6.20E+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))
BDBM50346237
PNG
(9-Oxy-5,12-dihydro-7H-5,9,12-triaza-dibenzo[a,e]az...)
Show SMILES [O-][n+]1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Show InChI InChI=1S/C15H11N3O2/c19-14-7-10-11-8-18(20)6-5-13(11)17-15(10)9-3-1-2-4-12(9)16-14/h1-6,8,17H,7H2,(H,16,19)
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Article
PubMed
n/an/a 7.30E+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))
BDBM50346237
PNG
(9-Oxy-5,12-dihydro-7H-5,9,12-triaza-dibenzo[a,e]az...)
Show SMILES [O-][n+]1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Show InChI InChI=1S/C15H11N3O2/c19-14-7-10-11-8-18(20)6-5-13(11)17-15(10)9-3-1-2-4-12(9)16-14/h1-6,8,17H,7H2,(H,16,19)
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Article
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n/an/a 240n/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
Glycogen synthase kinase 3


(Plasmodium falciparum (isolate 3D7))
BDBM50346237
PNG
(9-Oxy-5,12-dihydro-7H-5,9,12-triaza-dibenzo[a,e]az...)
Show SMILES [O-][n+]1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Show InChI InChI=1S/C15H11N3O2/c19-14-7-10-11-8-18(20)6-5-13(11)17-15(10)9-3-1-2-4-12(9)16-14/h1-6,8,17H,7H2,(H,16,19)
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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
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50346237
PNG
(9-Oxy-5,12-dihydro-7H-5,9,12-triaza-dibenzo[a,e]az...)
Show SMILES [O-][n+]1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Show InChI InChI=1S/C15H11N3O2/c19-14-7-10-11-8-18(20)6-5-13(11)17-15(10)9-3-1-2-4-12(9)16-14/h1-6,8,17H,7H2,(H,16,19)
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Article
PubMed
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)
BDBM50346237
PNG
(9-Oxy-5,12-dihydro-7H-5,9,12-triaza-dibenzo[a,e]az...)
Show SMILES [O-][n+]1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Show InChI InChI=1S/C15H11N3O2/c19-14-7-10-11-8-18(20)6-5-13(11)17-15(10)9-3-1-2-4-12(9)16-14/h1-6,8,17H,7H2,(H,16,19)
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PC sid
UniChem

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Article
PubMed
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
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50346237
PNG
(9-Oxy-5,12-dihydro-7H-5,9,12-triaza-dibenzo[a,e]az...)
Show SMILES [O-][n+]1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Show InChI InChI=1S/C15H11N3O2/c19-14-7-10-11-8-18(20)6-5-13(11)17-15(10)9-3-1-2-4-12(9)16-14/h1-6,8,17H,7H2,(H,16,19)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
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