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27 similar compounds to monomer 50024792

Compile data set for download or QSAR
Wt: 337.3
BDBM50191391
Wt: 412.2
BDBM50191392
Wt: 319.3
BDBM50191394
Wt: 427.2
BDBM50191396
Wt: 453.3
BDBM50191404
Wt: 370.2
BDBM50191408
Wt: 367.7
BDBM50191409
Wt: 428.3
BDBM50191411
Wt: 454.3
BDBM50191415
Wt: 417.2
BDBM50191417
Wt: 468.3
BDBM50191420
Wt: 291.3
BDBM50191421
Wt: 455.3
BDBM50191423
Wt: 353.7
BDBM50191424
Wt: 450.2
BDBM50191426
Displayed 1 to 15 (of 27 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50191391,50191392,50191394,50191396,50191404,50191408,50191409,50191411,50191415,50191417,50191420,50191421,50191423,50191424,50191426   
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
Aurora kinase A


(Homo sapiens (Human))
BDBM50191421
PNG
(3-(3-(methoxyimino)indolin-2-ylidene)indolin-2-one...)
Show SMILES CO\N=C1/C(=Nc2ccccc12)c1c(O)[nH]c2ccccc12
Show InChI InChI=1S/C17H13N3O2/c1-22-20-15-11-7-3-5-9-13(11)18-16(15)14-10-6-2-4-8-12(10)19-17(14)21/h2-9,19,21H,1H3/b20-15-
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n/an/a 4.30E+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
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50191396
PNG
((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-dimethylaminoe...)
Show SMILES CN(C)CCO\N=C1\C(=Nc2ccccc12)c1c(O)[nH]c2c(Br)cccc12
Show InChI InChI=1S/C20H19BrN4O2/c1-25(2)10-11-27-24-18-12-6-3-4-9-15(12)22-19(18)16-13-7-5-8-14(21)17(13)23-20(16)26/h3-9,23,26H,10-11H2,1-2H3/b24-18+
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n/an/a>1.00E+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
Aurora kinase B


(Homo sapiens (Human))
BDBM50191421
PNG
(3-(3-(methoxyimino)indolin-2-ylidene)indolin-2-one...)
Show SMILES CO\N=C1/C(=Nc2ccccc12)c1c(O)[nH]c2ccccc12
Show InChI InChI=1S/C17H13N3O2/c1-22-20-15-11-7-3-5-9-13(11)18-16(15)14-10-6-2-4-8-12(10)19-17(14)21/h2-9,19,21H,1H3/b20-15-
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n/an/a 3.00E+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
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50191394
PNG
(2,3'-biindole-2',3(1H,1'H)-dione 3-(O-acetyloxime)...)
Show SMILES CC(=O)ON=C1C(=Nc2ccccc12)c1c(O)[nH]c2ccccc12
Show InChI InChI=1S/C18H13N3O3/c1-10(22)24-21-16-12-7-3-5-9-14(12)19-17(16)15-11-6-2-4-8-13(11)20-18(15)23/h2-9,20,23H,1H3
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n/an/a 700n/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))
BDBM50191408
PNG
((2'Z,3'E)-7-bromoindirubin-3'-methoxime | CHEMBL43...)
Show SMILES CO\N=C1\C(=Nc2ccccc12)c1c(O)[nH]c2c(Br)cccc12
Show InChI InChI=1S/C17H12BrN3O2/c1-23-21-15-9-5-2-3-8-12(9)19-16(15)13-10-6-4-7-11(18)14(10)20-17(13)22/h2-8,20,22H,1H3/b21-15+
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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))
BDBM50191409
PNG
((2'Z,3'E)-7-chloro-1-methylindirubin-3'-acetoxime ...)
Show SMILES CC(=O)ON=C1C(=Nc2ccccc12)c1c(O)n(C)c2c(Cl)cccc12
Show InChI InChI=1S/C19H14ClN3O3/c1-10(24)26-22-16-11-6-3-4-9-14(11)21-17(16)15-12-7-5-8-13(20)18(12)23(2)19(15)25/h3-9,25H,1-2H3
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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))
BDBM50191417
PNG
((2'Z,3'E)-7-iodoindirubin-3'-methoxime | CHEMBL213...)
Show SMILES CO\N=C1\C(=Nc2ccccc12)c1c(O)[nH]c2c(I)cccc12
Show InChI InChI=1S/C17H12IN3O2/c1-23-21-15-9-5-2-3-8-12(9)19-16(15)13-10-6-4-7-11(18)14(10)20-17(13)22/h2-8,20,22H,1H3/b21-15+
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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))
BDBM50191421
PNG
(3-(3-(methoxyimino)indolin-2-ylidene)indolin-2-one...)
Show SMILES CO\N=C1/C(=Nc2ccccc12)c1c(O)[nH]c2ccccc12
Show InChI InChI=1S/C17H13N3O2/c1-22-20-15-11-7-3-5-9-13(11)18-16(15)14-10-6-2-4-8-12(10)19-17(14)21/h2-9,19,21H,1H3/b20-15-
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n/an/a 400n/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))
BDBM50191423
PNG
((2'Z,3'E)-7-bromoindirubin-3'-[O-(N,N-diethylcarba...)
Show SMILES CCN(CC)C(=O)O\N=C1\C(=Nc2ccccc12)c1c(O)[nH]c2c(Br)cccc12
Show InChI InChI=1S/C21H19BrN4O3/c1-3-26(4-2)21(28)29-25-18-12-8-5-6-11-15(12)23-19(18)16-13-9-7-10-14(22)17(13)24-20(16)27/h5-11,24,27H,3-4H2,1-2H3/b25-18+
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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))
BDBM50191392
PNG
((2'Z,3'E)-7-bromo-1-methylindirubin-3'-acetoxime |...)
Show SMILES CC(=O)ON=C1C(=Nc2ccccc12)c1c(O)n(C)c2c(Br)cccc12
Show InChI InChI=1S/C19H14BrN3O3/c1-10(24)26-22-16-11-6-3-4-9-14(11)21-17(16)15-12-7-5-8-13(20)18(12)23(2)19(15)25/h3-9,25H,1-2H3
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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
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50191415
PNG
((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-pyrrolidin-1-y...)
Show SMILES Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\C1=N/OCC[NH+]1CCCC1
Show InChI InChI=1S/C22H21BrN4O2/c23-16-8-5-7-15-18(22(28)25-19(15)16)21-20(14-6-1-2-9-17(14)24-21)26-29-13-12-27-10-3-4-11-27/h1-2,5-9,25,28H,3-4,10-13H2/p+1/b26-20+
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n/an/a>3.00E+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
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50191420
PNG
((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-piperazin-1-yl...)
Show SMILES Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\C1=N/OCCN1CCNCC1
Show InChI InChI=1S/C22H22BrN5O2/c23-16-6-3-5-15-18(22(29)26-19(15)16)21-20(14-4-1-2-7-17(14)25-21)27-30-13-12-28-10-8-24-9-11-28/h1-7,24,26,29H,8-13H2/b27-20+
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n/an/a>1.00E+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))
BDBM50191426
PNG
((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-imidazol-1-yle...)
Show SMILES Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\C1=N/OCCn1ccnc1
Show InChI InChI=1S/C21H16BrN5O2/c22-15-6-3-5-14-17(21(28)25-18(14)15)20-19(13-4-1-2-7-16(13)24-20)26-29-11-10-27-9-8-23-12-27/h1-9,12,25,28H,10-11H2/b26-19+
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n/an/a>1.00E+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
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50191411
PNG
((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-dimethylaminoe...)
Show SMILES C[NH+](C)CCO\N=C1\C(=Nc2ccccc12)c1c(O)[nH]c2c(Br)cccc12
Show InChI InChI=1S/C20H19BrN4O2/c1-25(2)10-11-27-24-18-12-6-3-4-9-15(12)22-19(18)16-13-7-5-8-14(21)17(13)23-20(16)26/h3-9,23,26H,10-11H2,1-2H3/p+1/b24-18+
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n/an/a>3.00E+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
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50191424
PNG
((2'Z,3'E)-7-chloroindirubin-3'-acetoxime | CHEMBL3...)
Show SMILES CC(=O)ON=C1C(=Nc2ccccc12)c1c(O)[nH]c2c(Cl)cccc12
Show InChI InChI=1S/C18H12ClN3O3/c1-9(23)25-22-16-10-5-2-3-8-13(10)20-17(16)14-11-6-4-7-12(19)15(11)21-18(14)24/h2-8,21,24H,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))
BDBM50191415
PNG
((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-pyrrolidin-1-y...)
Show SMILES Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\C1=N/OCC[NH+]1CCCC1
Show InChI InChI=1S/C22H21BrN4O2/c23-16-8-5-7-15-18(22(28)25-19(15)16)21-20(14-6-1-2-9-17(14)24-21)26-29-13-12-27-10-3-4-11-27/h1-2,5-9,25,28H,3-4,10-13H2/p+1/b26-20+
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n/an/a>1.00E+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
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50191420
PNG
((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-piperazin-1-yl...)
Show SMILES Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\C1=N/OCCN1CCNCC1
Show InChI InChI=1S/C22H22BrN5O2/c23-16-6-3-5-15-18(22(29)26-19(15)16)21-20(14-4-1-2-7-17(14)25-21)27-30-13-12-28-10-8-24-9-11-28/h1-7,24,26,29H,8-13H2/b27-20+
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n/an/a 5.20E+3n/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
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50191426
PNG
((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-imidazol-1-yle...)
Show SMILES Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\C1=N/OCCn1ccnc1
Show InChI InChI=1S/C21H16BrN5O2/c22-15-6-3-5-14-17(21(28)25-18(14)15)20-19(13-4-1-2-7-16(13)24-20)26-29-11-10-27-9-8-23-12-27/h1-9,12,25,28H,10-11H2/b26-19+
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n/an/a>1.00E+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))
BDBM50191411
PNG
((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-dimethylaminoe...)
Show SMILES C[NH+](C)CCO\N=C1\C(=Nc2ccccc12)c1c(O)[nH]c2c(Br)cccc12
Show InChI InChI=1S/C20H19BrN4O2/c1-25(2)10-11-27-24-18-12-6-3-4-9-15(12)22-19(18)16-13-7-5-8-14(21)17(13)23-20(16)26/h3-9,23,26H,10-11H2,1-2H3/p+1/b24-18+
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n/an/a>1.00E+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))
BDBM50191404
PNG
((2'Z, 3'E)-7-bromoindirubin-3'-[O-(2-pyrrolidin-1-...)
Show SMILES Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\C1=N/OCCN1CCCC1
Show InChI InChI=1S/C22H21BrN4O2/c23-16-8-5-7-15-18(22(28)25-19(15)16)21-20(14-6-1-2-9-17(14)24-21)26-29-13-12-27-10-3-4-11-27/h1-2,5-9,25,28H,3-4,10-13H2/b26-20+
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n/an/a>1.00E+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
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50191396
PNG
((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-dimethylaminoe...)
Show SMILES CN(C)CCO\N=C1\C(=Nc2ccccc12)c1c(O)[nH]c2c(Br)cccc12
Show InChI InChI=1S/C20H19BrN4O2/c1-25(2)10-11-27-24-18-12-6-3-4-9-15(12)22-19(18)16-13-7-5-8-14(21)17(13)23-20(16)26/h3-9,23,26H,10-11H2,1-2H3/b24-18+
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n/an/a 2.50E+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
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50191391
PNG
((2'Z,3'E)-7-fluoroindirubin-3'-acetoxime | CHEMBL2...)
Show SMILES CC(=O)ON=C1C(=Nc2ccccc12)c1c(O)[nH]c2c(F)cccc12
Show InChI InChI=1S/C18H12FN3O3/c1-9(23)25-22-16-10-5-2-3-8-13(10)20-17(16)14-11-6-4-7-12(19)15(11)21-18(14)24/h2-8,21,24H,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
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50191421
PNG
(3-(3-(methoxyimino)indolin-2-ylidene)indolin-2-one...)
Show SMILES CO\N=C1/C(=Nc2ccccc12)c1c(O)[nH]c2ccccc12
Show InChI InChI=1S/C17H13N3O2/c1-22-20-15-11-7-3-5-9-13(11)18-16(15)14-10-6-2-4-8-12(10)19-17(14)21/h2-9,19,21H,1H3/b20-15-
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n/an/a 400n/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