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BDBM50065521 4-[2-Acetyl-5-(thiophen-3-ylmethoxy)-phenoxy]-4-o-tolyl-butyric acid::CHEMBL93776

SMILES: CC(=O)c1ccc(OCc2ccsc2)cc1OC(CCC(O)=O)c1ccccc1C

InChI Key: InChIKey=ULMFTQRBVDYESB-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50065521   
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
EDNRA


(RAT)
BDBM50065521
PNG
(4-[2-Acetyl-5-(thiophen-3-ylmethoxy)-phenoxy]-4-o-...)
Show SMILES CC(=O)c1ccc(OCc2ccsc2)cc1OC(CCC(O)=O)c1ccccc1C
Show InChI InChI=1S/C24H24O5S/c1-16-5-3-4-6-20(16)22(9-10-24(26)27)29-23-13-19(7-8-21(23)17(2)25)28-14-18-11-12-30-15-18/h3-8,11-13,15,22H,9-10,14H2,1-2H3,(H,26,27)
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]ET1 binding to rat A10 cell Endothelin A receptor.


J Med Chem 41: 2732-44 (1998)


Article DOI: 10.1021/jm9707131
BindingDB Entry DOI: 10.7270/Q2HM594W
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50065521
PNG
(4-[2-Acetyl-5-(thiophen-3-ylmethoxy)-phenoxy]-4-o-...)
Show SMILES CC(=O)c1ccc(OCc2ccsc2)cc1OC(CCC(O)=O)c1ccccc1C
Show InChI InChI=1S/C24H24O5S/c1-16-5-3-4-6-20(16)22(9-10-24(26)27)29-23-13-19(7-8-21(23)17(2)25)28-14-18-11-12-30-15-18/h3-8,11-13,15,22H,9-10,14H2,1-2H3,(H,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]ET1 binding to rat cerebellum Endothelin B receptor.


J Med Chem 41: 2732-44 (1998)


Article DOI: 10.1021/jm9707131
BindingDB Entry DOI: 10.7270/Q2HM594W
More data for this
Ligand-Target Pair