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BDBM21616 4-{[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino}benzoic acid::Thiazole, 4

SMILES: COc1ccccc1-c1csc(Nc2ccc(cc2)C(O)=O)n1

InChI Key: InChIKey=XBZLGTFOMXCHPP-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 21616   
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))
BDBM21616
PNG
(4-{[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino}ben...)
Show SMILES COc1ccccc1-c1csc(Nc2ccc(cc2)C(O)=O)n1
Show InChI InChI=1S/C17H14N2O3S/c1-22-15-5-3-2-4-13(15)14-10-23-17(19-14)18-12-8-6-11(7-9-12)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 994n/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)


Article DOI: 10.1021/jm701509k
BindingDB Entry DOI: 10.7270/Q2Z036FR
More data for this
Ligand-Target Pair
3D
3D Structure (docked)