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BDBM50132003 (Z)-1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-oxime::(Z)-1H,1'H-[2,3']Biindolylidene-3,2'-dione 3-oxime::1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-oxime::1H,1'H-[2,3']Biindolylidene-3,2'-dione 3-oxime::3-(3-(hydroxyimino)indolin-2-ylidene)indolin-2-one::CHEMBL126077

SMILES: Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O

InChI Key: InChIKey=FQCPPVRJPILDIK-UHFFFAOYSA-N

Data: 15 IC50  1 EC50

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 16 hits for monomerid = 50132003   
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
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50132003
PNG
((Z)-1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-ox...)
Show SMILES Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H
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n/an/a 22n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50132003
PNG
((Z)-1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-ox...)
Show SMILES Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H
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n/an/a 100n/an/an/an/an/an/a



C.N.R.S.

Curated by ChEMBL


Assay Description
Inhibition of mammalian CDK5/p25


J Med Chem 49: 4638-49 (2006)


Article DOI: 10.1021/jm060314i
BindingDB Entry DOI: 10.7270/Q21G0N3Z
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM50132003
PNG
((Z)-1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-ox...)
Show SMILES Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H
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n/an/a 180n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Cdk1


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
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-Homo sapiens (human))
BDBM50132003
PNG
((Z)-1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-ox...)
Show SMILES Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H
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n/an/a 18n/an/an/an/an/an/a



The Rockefeller University

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclinB


Trends Pharmacol Sci 25: 471-80 (2004)


Article DOI: 10.1016/j.tips.2004.07.006
BindingDB Entry DOI: 10.7270/Q2VX0HG5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50132003
PNG
((Z)-1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-ox...)
Show SMILES Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H
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n/an/a 22n/an/an/an/an/an/a



The Rockefeller University

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Trends Pharmacol Sci 25: 471-80 (2004)


Article DOI: 10.1016/j.tips.2004.07.006
BindingDB Entry DOI: 10.7270/Q2VX0HG5
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50132003
PNG
((Z)-1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-ox...)
Show SMILES Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H
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n/an/a 1.50E+4n/an/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO assessed as product formation by cell-free assay relative to control


J Med Chem 57: 3715-23 (2014)


Article DOI: 10.1021/jm401740w
BindingDB Entry DOI: 10.7270/Q2NS0WGG
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50132003
PNG
((Z)-1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-ox...)
Show SMILES Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H
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n/an/a 1.11E+4n/an/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils assessed as product formation by cell-intact assay relative to control in presence of 2.5 uM A23187 ionophore


J Med Chem 57: 3715-23 (2014)


Article DOI: 10.1021/jm401740w
BindingDB Entry DOI: 10.7270/Q2NS0WGG
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50132003
PNG
((Z)-1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-ox...)
Show SMILES Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H
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n/an/a 8.20E+3n/an/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils assessed as product formation by cell-intact assay relative to control in presence of 20 uM A23187/AA ionopho...


J Med Chem 57: 3715-23 (2014)


Article DOI: 10.1021/jm401740w
BindingDB Entry DOI: 10.7270/Q2NS0WGG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (human))
BDBM50132003
PNG
((Z)-1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-ox...)
Show SMILES Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H
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n/an/a 300n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora C kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
BindingDB Entry DOI: 10.7270/Q2PC323X
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50132003
PNG
((Z)-1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-ox...)
Show SMILES Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora A kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
BindingDB Entry DOI: 10.7270/Q2PC323X
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50132003
PNG
((Z)-1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-ox...)
Show SMILES Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora B kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
BindingDB Entry DOI: 10.7270/Q2PC323X
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50132003
PNG
((Z)-1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-ox...)
Show SMILES Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H
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n/an/a 100n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of cyclin-dependent kinase 5/p25


J Med Chem 48: 671-9 (2005)


Article DOI: 10.1021/jm049323m
BindingDB Entry DOI: 10.7270/Q2MP52S4
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50132003
PNG
((Z)-1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-ox...)
Show SMILES Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H
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n/an/a 3.00E+4n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Plasmodium falciparum cyclin dependent protein kinase, Pfmrk


J Med Chem 46: 3877-82 (2003)


Article DOI: 10.1021/jm0300983
BindingDB Entry DOI: 10.7270/Q2028S9W
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50132003
PNG
((Z)-1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-ox...)
Show SMILES Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H
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n/an/a 3.00E+4n/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cyclin-dependent kinase


J Med Chem 47: 5418-26 (2004)


Article DOI: 10.1021/jm040108f
BindingDB Entry DOI: 10.7270/Q2BZ66TW
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50132003
PNG
((Z)-1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-ox...)
Show SMILES Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H
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n/an/an/an/a>1.00E+6n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at N-type Cav2.2 channel expressed in tsA201 cell assessed as calcium current by whole-cell patch clamp method


ACS Med Chem Lett 3: 985-990 (2012)


Article DOI: 10.1021/ml3002083
BindingDB Entry DOI: 10.7270/Q2BC40P0
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM50132003
PNG
((Z)-1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-ox...)
Show SMILES Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H
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n/an/a 100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Cdk5


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair