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BDBM50065523 (R)-4-[2-Cyano-5-(isothiazol-4-ylmethoxy)-phenoxy]-4-o-tolyl-butyric acid::CHEMBL93331

SMILES: Cc1ccccc1[C@@H](CCC(O)=O)Oc1cc(OCc2cnsc2)ccc1C#N

InChI Key: InChIKey=LFOQFWMAMDUQMO-HXUWFJFHSA-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 = 50065523   
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)
BDBM50065523
PNG
((R)-4-[2-Cyano-5-(isothiazol-4-ylmethoxy)-phenoxy]...)
Show SMILES Cc1ccccc1[C@@H](CCC(O)=O)Oc1cc(OCc2cnsc2)ccc1C#N
Show InChI InChI=1S/C22H20N2O4S/c1-15-4-2-3-5-19(15)20(8-9-22(25)26)28-21-10-18(7-6-17(21)11-23)27-13-16-12-24-29-14-16/h2-7,10,12,14,20H,8-9,13H2,1H3,(H,25,26)/t20-/m1/s1
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UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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
EDNRB


(RAT)
BDBM50065523
PNG
((R)-4-[2-Cyano-5-(isothiazol-4-ylmethoxy)-phenoxy]...)
Show SMILES Cc1ccccc1[C@@H](CCC(O)=O)Oc1cc(OCc2cnsc2)ccc1C#N
Show InChI InChI=1S/C22H20N2O4S/c1-15-4-2-3-5-19(15)20(8-9-22(25)26)28-21-10-18(7-6-17(21)11-23)27-13-16-12-24-29-14-16/h2-7,10,12,14,20H,8-9,13H2,1H3,(H,25,26)/t20-/m1/s1
Reactome pathway
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