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BDBM50065518 4-[2-Cyano-5-(thiophen-3-ylmethoxy)-phenoxy]-4-o-tolyl-butyric acid::CHEMBL90320

SMILES: Cc1ccccc1C(CCC(O)=O)Oc1cc(OCc2ccsc2)ccc1C#N

InChI Key: InChIKey=ARDXPWJWTGZJGO-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50065518   
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)
BDBM50065518
PNG
(4-[2-Cyano-5-(thiophen-3-ylmethoxy)-phenoxy]-4-o-t...)
Show SMILES Cc1ccccc1C(CCC(O)=O)Oc1cc(OCc2ccsc2)ccc1C#N
Show InChI InChI=1S/C23H21NO4S/c1-16-4-2-3-5-20(16)21(8-9-23(25)26)28-22-12-19(7-6-18(22)13-24)27-14-17-10-11-29-15-17/h2-7,10-12,15,21H,8-9,14H2,1H3,(H,25,26)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% Et-1 binding to endothelin A receptor in rat A-10 cells.


J Med Chem 41: 2745-53 (1998)


Article DOI: 10.1021/jm970847e
BindingDB Entry DOI: 10.7270/Q2PN94SR
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50065518
PNG
(4-[2-Cyano-5-(thiophen-3-ylmethoxy)-phenoxy]-4-o-t...)
Show SMILES Cc1ccccc1C(CCC(O)=O)Oc1cc(OCc2ccsc2)ccc1C#N
Show InChI InChI=1S/C23H21NO4S/c1-16-4-2-3-5-20(16)21(8-9-23(25)26)28-22-12-19(7-6-18(22)13-24)27-14-17-10-11-29-15-17/h2-7,10-12,15,21H,8-9,14H2,1H3,(H,25,26)
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PC sid
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Article
PubMed
n/an/a 5.00E+3n/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
EDNRA


(RAT)
BDBM50065518
PNG
(4-[2-Cyano-5-(thiophen-3-ylmethoxy)-phenoxy]-4-o-t...)
Show SMILES Cc1ccccc1C(CCC(O)=O)Oc1cc(OCc2ccsc2)ccc1C#N
Show InChI InChI=1S/C23H21NO4S/c1-16-4-2-3-5-20(16)21(8-9-23(25)26)28-22-12-19(7-6-18(22)13-24)27-14-17-10-11-29-15-17/h2-7,10-12,15,21H,8-9,14H2,1H3,(H,25,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7n/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