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BDBM50323904 (E)-4-(Cyanomethoxy)-3-(3-(4-(4-phenoxybutoxy)phenyl)acryloyl)benzoic acid::CHEMBL1213918

InChI string: InChI=1S/C28H25NO6/c29-16-19-35-27-15-11-22(28(31)32)20-25(27)26(30)14-10-21-8-12-24(13-9-21)34-18-5-4-17-33-23-6-2-1-3-7-23/h1-3,6-15,20H,4-5,17-19H2,(H,31,32)/b14-10+

SMILES: OC(=O)c1ccc(OCC#N)c(c1)C(=O)\C=C\c1ccc(OCCCCOc2ccccc2)cc1

InChI Key: InChIKey=WBEPSBAFTHVJJQ-GXDHUFHOSA-N

Data: 1 EC50

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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 = 50323904   
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)
BDBM50323904
PNG
((E)-4-(Cyanomethoxy)-3-(3-(4-(4-phenoxybutoxy)phen...)
Show SMILES OC(=O)c1ccc(OCC#N)c(c1)C(=O)\C=C\c1ccc(OCCCCOc2ccccc2)cc1
Show InChI InChI=1S/C28H25NO6/c29-16-19-35-27-15-11-22(28(31)32)20-25(27)26(30)14-10-21-8-12-24(13-9-21)34-18-5-4-17-33-23-6-2-1-3-7-23/h1-3,6-15,20H,4-5,17-19H2,(H,31,32)/b14-10+
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PC sid
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Article
PubMed
n/an/an/an/a 3.90E+3n/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...


Citation and Details
More data for this
Ligand-Target Pair