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BDBM69369 2-(4-methoxyanilino)benzoic acid::2-(p-anisidino)benzoic acid::2-[(4-methoxyphenyl)amino]benzoic acid::MLS000775662::SMR000370544::cid_202918

SMILES: COc1ccc(Nc2ccccc2C(O)=O)cc1

InChI Key: InChIKey=AOTGWRVCPVLSPA-UHFFFAOYSA-N

Data: 5 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 6 hits for monomerid = 69369   
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


(Homo sapiens (human))
BDBM69369
PNG
(2-(4-methoxyanilino)benzoic acid | 2-(p-anisidino)...)
Show SMILES COc1ccc(Nc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C14H13NO3/c1-18-11-8-6-10(7-9-11)15-13-5-3-2-4-12(13)14(16)17/h2-9,15H,1H3,(H,16,17)
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n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM69369
PNG
(2-(4-methoxyanilino)benzoic acid | 2-(p-anisidino)...)
Show SMILES COc1ccc(Nc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C14H13NO3/c1-18-11-8-6-10(7-9-11)15-13-5-3-2-4-12(13)14(16)17/h2-9,15H,1H3,(H,16,17)
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Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Broad Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DHODH


ACS Med Chem Lett 7: 1112-1117 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00316
BindingDB Entry DOI: 10.7270/Q2TM7D4P
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM69369
PNG
(2-(4-methoxyanilino)benzoic acid | 2-(p-anisidino)...)
Show SMILES COc1ccc(Nc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C14H13NO3/c1-18-11-8-6-10(7-9-11)15-13-5-3-2-4-12(13)14(16)17/h2-9,15H,1H3,(H,16,17)
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Article
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L expressed in Pichia pastoris using Z-Phe-Arg-MCA as substrate by fluorometric analysis


Eur J Med Chem 54: 10-21 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.002
BindingDB Entry DOI: 10.7270/Q22J6CW7
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM69369
PNG
(2-(4-methoxyanilino)benzoic acid | 2-(p-anisidino)...)
Show SMILES COc1ccc(Nc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C14H13NO3/c1-18-11-8-6-10(7-9-11)15-13-5-3-2-4-12(13)14(16)17/h2-9,15H,1H3,(H,16,17)
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n/an/a 90n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)


Article DOI: 10.1021/jm201547v
BindingDB Entry DOI: 10.7270/Q2C24XGP
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM69369
PNG
(2-(4-methoxyanilino)benzoic acid | 2-(p-anisidino)...)
Show SMILES COc1ccc(Nc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C14H13NO3/c1-18-11-8-6-10(7-9-11)15-13-5-3-2-4-12(13)14(16)17/h2-9,15H,1H3,(H,16,17)
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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin V expressed in Pichia pastoris using Z-Phe-Arg-MCA as substrate by fluorometric analysis


Eur J Med Chem 54: 10-21 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.002
BindingDB Entry DOI: 10.7270/Q22J6CW7
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM69369
PNG
(2-(4-methoxyanilino)benzoic acid | 2-(p-anisidino)...)
Show SMILES COc1ccc(Nc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C14H13NO3/c1-18-11-8-6-10(7-9-11)15-13-5-3-2-4-12(13)14(16)17/h2-9,15H,1H3,(H,16,17)
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PC cid
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UniChem

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Article
PubMed
n/an/a 700n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)


Article DOI: 10.1021/jm201547v
BindingDB Entry DOI: 10.7270/Q2C24XGP
More data for this
Ligand-Target Pair