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BDBM50065508 (R)-4-[2-Cyano-5-(thiophen-3-ylmethoxy)-phenoxy]-4-o-tolyl-butyric acid::CHEMBL94071

SMILES: Cc1ccccc1[C@@H](CCC(O)=O)Oc1cc(OCc2ccsc2)ccc1C#N

InChI Key: InChIKey=ARDXPWJWTGZJGO-OAQYLSRUSA-N

Data: 2 IC50

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 2 hits for monomerid = 50065508   
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
EDNRB


(RAT)
BDBM50065508
PNG
((R)-4-[2-Cyano-5-(thiophen-3-ylmethoxy)-phenoxy]-4...)
Show SMILES Cc1ccccc1[C@@H](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)/t21-/m1/s1
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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
EDNRA


(RAT)
BDBM50065508
PNG
((R)-4-[2-Cyano-5-(thiophen-3-ylmethoxy)-phenoxy]-4...)
Show SMILES Cc1ccccc1[C@@H](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)/t21-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/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