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BDBM21613 2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enamido]benzoic acid::N-(3 ,4 -dimethoxycinnamoyl)anthranilic acid::Rizaben::Tranilast

SMILES: COc1ccc(\C=C\C(=O)Nc2ccccc2C(O)=O)cc1OC

InChI Key: InChIKey=NZHGWWWHIYHZNX-CSKARUKUSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 21613   
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
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM21613
PNG
(2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enamido]benz...)
Show SMILES COc1ccc(\C=C\C(=O)Nc2ccccc2C(O)=O)cc1OC
Show InChI InChI=1S/C18H17NO5/c1-23-15-9-7-12(11-16(15)24-2)8-10-17(20)19-14-6-4-3-5-13(14)18(21)22/h3-11H,1-2H3,(H,19,20)(H,21,22)/b10-8+
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Article
PubMed
n/an/a 1.16E+4n/an/an/an/a7.222



AstraZeneca



Assay Description
The PGDS glutathione-S-transferase (GST) activity was measured by using MonoChloroBimane (MCB) as a chromogenic substrate. The assay was run at 384-w...


J Med Chem 51: 2178-86 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)