BindingDB logo
myBDB logout

BDBM50323903 (E)-4-(3-(4-(4-(4-Chlorophenoxy)butoxy)phenyl)acryloyl)-3-(cyanomethoxy)benzoic acid::CHEMBL1213917

InChI string: InChI=1S/C28H24ClNO6/c29-22-7-11-24(12-8-22)35-17-2-1-16-34-23-9-3-20(4-10-23)5-14-26(31)25-13-6-21(28(32)33)19-27(25)36-18-15-30/h3-14,19H,1-2,16-18H2,(H,32,33)/b14-5+

SMILES: OC(=O)c1ccc(C(=O)\C=C\c2ccc(OCCCCOc3ccc(Cl)cc3)cc2)c(OCC#N)c1

InChI Key: InChIKey=ZTHMJAISOYJLLS-LHHJGKSTSA-N

Data: 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 1 hit for monomerid = 50323903   
Target
(Institution)
LigandTarget
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
Cysteinyl leukotriene receptor


(HUMAN)
BDBM50323903
PNG
((E)-4-(3-(4-(4-(4-Chlorophenoxy)butoxy)phenyl)acry...)
Show SMILES OC(=O)c1ccc(C(=O)\C=C\c2ccc(OCCCCOc3ccc(Cl)cc3)cc2)c(OCC#N)c1
Show InChI InChI=1S/C28H24ClNO6/c29-22-7-11-24(12-8-22)35-17-2-1-16-34-23-9-3-20(4-10-23)5-14-26(31)25-13-6-21(28(32)33)19-27(25)36-18-15-30/h3-14,19H,1-2,16-18H2,(H,32,33)/b14-5+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/an/an/a 480n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity at CysLT1 receptor in human dU937 cells assessed as inhibition of LTD4-induced increase of calcium level treated 30 mins before L...


Bioorg Med Chem 18: 5519-27 (2010)

More data for this
Ligand-Target Pair