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12 similar compounds to monomer 50132003

Compile data set for download or QSAR
Wt: 403.1
BDBM50005298
Wt: 403.1
BDBM50191398
Wt: 356.1
BDBM50191405
Wt: 356.1
BDBM50191406
Wt: 309.2
BDBM50191407
Wt: 291.3
BDBM50191410
Wt: 311.7
BDBM50191418
Wt: 370.2
BDBM50191425
Wt: 356.1
BDBM50191431
Wt: 325.7
BDBM50191434
Wt: 295.2
BDBM50191448
Wt: 322.2
BDBM50317177

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 40 hits for monomerid = 50005298,50191398,50191405,50191406,50191407,50191410,50191418,50191425,50191431,50191434,50191448,50317177   
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))
BDBM50005298
PNG
(CHEMBL337300)
Show SMILES Oc1[nH]c2ccc(I)cc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10IN3O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)15-14(20-22)9-3-1-2-4-11(9)18-15/h1-7,18-19,21H
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n/an/a 9n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity to 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
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50191405
PNG
((2'Z,3'E)-7-bromoindirubin-3'-oxime | CHEMBL373834)
Show SMILES Oc1[nH]c2c(Br)cccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10BrN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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n/an/a 2.00E+4n/an/an/an/an/an/a



C.N.R.S.

Curated by ChEMBL


Assay Description
Survival of mouse AhR +/+ 5L cells after 48 hrs by MTS reduction assay


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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50005298
PNG
(CHEMBL337300)
Show SMILES Oc1[nH]c2ccc(I)cc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10IN3O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)15-14(20-22)9-3-1-2-4-11(9)18-15/h1-7,18-19,21H
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n/an/a 9n/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 regulatory subunit 1


(Homo sapiens (Human))
BDBM50005298
PNG
(CHEMBL337300)
Show SMILES Oc1[nH]c2ccc(I)cc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10IN3O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)15-14(20-22)9-3-1-2-4-11(9)18-15/h1-7,18-19,21H
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n/an/a 20n/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
Glycogen synthase kinase-3


(Sus scrofa)
BDBM50191405
PNG
((2'Z,3'E)-7-bromoindirubin-3'-oxime | CHEMBL373834)
Show SMILES Oc1[nH]c2c(Br)cccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10BrN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of porcine brain GSK3beta using YRRAAVPPSPSLSRHSSPHQSpEDEEE as substrate


Citation and Details

Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50191425
PNG
((2'Z,3'E)-7-bromo-1-methylindirubin-3'-oxime | CHE...)
Show SMILES Cn1c(O)c(-c2[nH]c3ccccc3c2N=O)c2cccc(Br)c12
Show InChI InChI=1S/C17H12BrN3O2/c1-21-16-10(6-4-7-11(16)18)13(17(21)22)15-14(20-23)9-5-2-3-8-12(9)19-15/h2-8,19,22H,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat recombinant GST-fused DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate after 30 mins by scintillation countin...


Citation and Details

Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50191405
PNG
((2'Z,3'E)-7-bromoindirubin-3'-oxime | CHEMBL373834)
Show SMILES Oc1[nH]c2c(Br)cccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10BrN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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n/an/a 1.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant GST-fused DYRK2 expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate after 30 mins by scintillation counti...


Citation and Details

Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50191405
PNG
((2'Z,3'E)-7-bromoindirubin-3'-oxime | CHEMBL373834)
Show SMILES Oc1[nH]c2c(Br)cccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10BrN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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TBA

Assay Description
Inhibition of human recombinant CDK5


Citation and Details

Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Sus scrofa)
BDBM50191425
PNG
((2'Z,3'E)-7-bromo-1-methylindirubin-3'-oxime | CHE...)
Show SMILES Cn1c(O)c(-c2[nH]c3ccccc3c2N=O)c2cccc(Br)c12
Show InChI InChI=1S/C17H12BrN3O2/c1-21-16-10(6-4-7-11(16)18)13(17(21)22)15-14(20-23)9-5-2-3-8-12(9)19-15/h2-8,19,22H,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of porcine brain GSK3beta using YRRAAVPPSPSLSRHSSPHQSpEDEEE as substrate


Citation and Details

Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50191425
PNG
((2'Z,3'E)-7-bromo-1-methylindirubin-3'-oxime | CHE...)
Show SMILES Cn1c(O)c(-c2[nH]c3ccccc3c2N=O)c2cccc(Br)c12
Show InChI InChI=1S/C17H12BrN3O2/c1-21-16-10(6-4-7-11(16)18)13(17(21)22)15-14(20-23)9-5-2-3-8-12(9)19-15/h2-8,19,22H,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


Citation and Details

Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50191405
PNG
((2'Z,3'E)-7-bromoindirubin-3'-oxime | CHEMBL373834)
Show SMILES Oc1[nH]c2c(Br)cccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10BrN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


Citation and Details

Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50191425
PNG
((2'Z,3'E)-7-bromo-1-methylindirubin-3'-oxime | CHE...)
Show SMILES Cn1c(O)c(-c2[nH]c3ccccc3c2N=O)c2cccc(Br)c12
Show InChI InChI=1S/C17H12BrN3O2/c1-21-16-10(6-4-7-11(16)18)13(17(21)22)15-14(20-23)9-5-2-3-8-12(9)19-15/h2-8,19,22H,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant CDK5


Citation and Details

Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50191405
PNG
((2'Z,3'E)-7-bromoindirubin-3'-oxime | CHEMBL373834)
Show SMILES Oc1[nH]c2c(Br)cccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10BrN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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n/an/a 1.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat recombinant GST-fused DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate after 30 mins by scintillation countin...


Citation and Details

Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50191425
PNG
((2'Z,3'E)-7-bromo-1-methylindirubin-3'-oxime | CHE...)
Show SMILES Cn1c(O)c(-c2[nH]c3ccccc3c2N=O)c2cccc(Br)c12
Show InChI InChI=1S/C17H12BrN3O2/c1-21-16-10(6-4-7-11(16)18)13(17(21)22)15-14(20-23)9-5-2-3-8-12(9)19-15/h2-8,19,22H,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant GST-fused DYRK2 expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate after 30 mins by scintillation counti...


Citation and Details

Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50317177
PNG
(5-nitroindirubin-3'-oxime | CHEMBL369303)
Show SMILES Oc1[nH]c2ccc(cc2c1-c1[nH]c2ccccc2c1N=O)[N+]([O-])=O
Show InChI InChI=1S/C16H9N4O4/c21-16-13(10-7-8(20(23)24)5-6-12(10)18-16)15-14(19-22)9-3-1-2-4-11(9)17-15/h1-7,17H,(H,18,21)/q-1/p+1
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n/an/a 7.40n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E


J Med Chem 53: 3696-706 (2010)


Article DOI: 10.1021/jm100080z
BindingDB Entry DOI: 10.7270/Q2X92BFT
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50191398
PNG
((2'Z,3'E)-7-iodoindirubin-3'-oxime | CHEMBL209648)
Show SMILES Oc1[nH]c2c(I)cccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10IN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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n/an/a>1.00E+5n/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))
BDBM50191448
PNG
((2'Z,3'E)-7-fluoroindirubin-3'-oxime | CHEMBL21217...)
Show SMILES Oc1[nH]c2c(F)cccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10FN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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n/an/a 7.00E+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
Aurora kinase B


(Homo sapiens (Human))
BDBM50191405
PNG
((2'Z,3'E)-7-bromoindirubin-3'-oxime | CHEMBL373834)
Show SMILES Oc1[nH]c2c(Br)cccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10BrN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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n/an/a 4.60E+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
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50191405
PNG
((2'Z,3'E)-7-bromoindirubin-3'-oxime | CHEMBL373834)
Show SMILES Oc1[nH]c2c(Br)cccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10BrN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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n/an/a 700n/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
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50191448
PNG
((2'Z,3'E)-7-fluoroindirubin-3'-oxime | CHEMBL21217...)
Show SMILES Oc1[nH]c2c(F)cccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10FN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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n/an/a 1.00E+3n/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
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50191418
PNG
((2'Z,3'E)-7-chloroindirubin-3'-oxime | CHEMBL21365...)
Show SMILES Oc1[nH]c2c(Cl)cccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10ClN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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n/an/a 900n/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 B


(Homo sapiens (Human))
BDBM50191418
PNG
((2'Z,3'E)-7-chloroindirubin-3'-oxime | CHEMBL21365...)
Show SMILES Oc1[nH]c2c(Cl)cccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10ClN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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n/an/a 8.00E+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
Aurora kinase A


(Homo sapiens (Human))
BDBM50191418
PNG
((2'Z,3'E)-7-chloroindirubin-3'-oxime | CHEMBL21365...)
Show SMILES Oc1[nH]c2c(Cl)cccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10ClN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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n/an/a>1.00E+5n/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 A


(Homo sapiens (Human))
BDBM50191448
PNG
((2'Z,3'E)-7-fluoroindirubin-3'-oxime | CHEMBL21217...)
Show SMILES Oc1[nH]c2c(F)cccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10FN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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n/an/a 2.00E+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 A


(Homo sapiens (Human))
BDBM50191405
PNG
((2'Z,3'E)-7-bromoindirubin-3'-oxime | CHEMBL373834)
Show SMILES Oc1[nH]c2c(Br)cccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10BrN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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n/an/a 1.00E+5n/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))
BDBM50191398
PNG
((2'Z,3'E)-7-iodoindirubin-3'-oxime | CHEMBL209648)
Show SMILES Oc1[nH]c2c(I)cccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10IN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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n/an/a 1.00E+4n/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
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50191398
PNG
((2'Z,3'E)-7-iodoindirubin-3'-oxime | CHEMBL209648)
Show SMILES Oc1[nH]c2c(I)cccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10IN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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n/an/a 600n/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
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50191405
PNG
((2'Z,3'E)-7-bromoindirubin-3'-oxime | CHEMBL373834)
Show SMILES Oc1[nH]c2c(Br)cccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10BrN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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n/an/a 3.30E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of CDK5


J Nat Prod 72: 2199-202 (2009)


Article DOI: 10.1021/np9003905
BindingDB Entry DOI: 10.7270/Q2QZ2B31
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50191405
PNG
((2'Z,3'E)-7-bromoindirubin-3'-oxime | CHEMBL373834)
Show SMILES Oc1[nH]c2c(Br)cccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10BrN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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n/an/a 2.20E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of CDK1


J Nat Prod 72: 2199-202 (2009)


Article DOI: 10.1021/np9003905
BindingDB Entry DOI: 10.7270/Q2QZ2B31
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50191406
PNG
((Z)-6'-Bromo-1H,1'H-[2,3']biindolylidene-3,2'-dion...)
Show SMILES Oc1[nH]c2cc(Br)ccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18-19,21H
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n/an/a 3.40E+3n/an/an/an/an/an/a



City of Hope National Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assay


Bioorg Med Chem 21: 4266-78 (2013)


Article DOI: 10.1016/j.bmc.2013.04.069
BindingDB Entry DOI: 10.7270/Q2J67J9Z
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50191398
PNG
((2'Z,3'E)-7-iodoindirubin-3'-oxime | CHEMBL209648)
Show SMILES Oc1[nH]c2c(I)cccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10IN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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n/an/a 7.70E+4n/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 5 (CDK5)


(Homo sapiens (Human))
BDBM50191405
PNG
((2'Z,3'E)-7-bromoindirubin-3'-oxime | CHEMBL373834)
Show SMILES Oc1[nH]c2c(Br)cccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10BrN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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n/an/a 3.30E+4n/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 5 (CDK5)


(Homo sapiens (Human))
BDBM50191410
PNG
((Z)-1'-Methyl-1H,1'H-[2,3']biindolylidene-3,2'-dio...)
Show SMILES Cn1c(O)c(-c2[nH]c3ccccc3c2N=O)c2ccccc12
Show InChI InChI=1S/C17H13N3O2/c1-20-13-9-5-3-7-11(13)14(17(20)21)16-15(19-22)10-6-2-4-8-12(10)18-16/h2-9,18,21H,1H3
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n/an/a>1.00E+5n/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 5 (CDK5)


(Homo sapiens (Human))
BDBM50191425
PNG
((2'Z,3'E)-7-bromo-1-methylindirubin-3'-oxime | CHE...)
Show SMILES Cn1c(O)c(-c2[nH]c3ccccc3c2N=O)c2cccc(Br)c12
Show InChI InChI=1S/C17H12BrN3O2/c1-21-16-10(6-4-7-11(16)18)13(17(21)22)15-14(20-23)9-5-2-3-8-12(9)19-15/h2-8,19,22H,1H3
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n/an/a>1.00E+5n/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 5 (CDK5)


(Homo sapiens (Human))
BDBM50191431
PNG
(5-bromoindirubin-3'-oxime | CHEMBL379494)
Show SMILES Oc1[nH]c2ccc(Br)cc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)15-14(20-22)9-3-1-2-4-11(9)18-15/h1-7,18-19,21H
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n/an/a 28n/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 5 (CDK5)


(Homo sapiens (Human))
BDBM50191434
PNG
((2'Z,3'E)-7-chloro-1-methylindirubin-3'-oxime | CH...)
Show SMILES Cn1c(O)c(-c2[nH]c3ccccc3c2N=O)c2cccc(Cl)c12
Show InChI InChI=1S/C17H12ClN3O2/c1-21-16-10(6-4-7-11(16)18)13(17(21)22)15-14(20-23)9-5-2-3-8-12(9)19-15/h2-8,19,22H,1H3
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n/an/a>1.00E+5n/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 5 (CDK5)


(Homo sapiens (Human))
BDBM50191407
PNG
((2'Z,3'E)-7-fluoro-1-methylindirubin-3'-oxime | CH...)
Show SMILES Cn1c(O)c(-c2[nH]c3ccccc3c2N=O)c2cccc(F)c12
Show InChI InChI=1S/C17H12FN3O2/c1-21-16-10(6-4-7-11(16)18)13(17(21)22)15-14(20-23)9-5-2-3-8-12(9)19-15/h2-8,19,22H,1H3
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n/an/a>1.00E+5n/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 5 (CDK5)


(Homo sapiens (Human))
BDBM50191418
PNG
((2'Z,3'E)-7-chloroindirubin-3'-oxime | CHEMBL21365...)
Show SMILES Oc1[nH]c2c(Cl)cccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10ClN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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n/an/a 6.00E+3n/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 5 (CDK5)


(Homo sapiens (Human))
BDBM50191448
PNG
((2'Z,3'E)-7-fluoroindirubin-3'-oxime | CHEMBL21217...)
Show SMILES Oc1[nH]c2c(F)cccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10FN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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n/an/a 510n/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))
BDBM50005298
PNG
(CHEMBL337300)
Show SMILES Oc1[nH]c2ccc(I)cc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10IN3O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)15-14(20-22)9-3-1-2-4-11(9)18-15/h1-7,18-19,21H
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n/an/a 5n/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