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BDBM50065513 4-[2-Oxazol-2-yl-5-(thiophen-3-ylmethoxy)-phenoxy]-4-o-tolyl-butyric acid::CHEMBL96301

SMILES: Cc1ccccc1C(CCC(O)=O)Oc1cc(OCc2ccsc2)ccc1-c1ncco1

InChI Key: InChIKey=ZPHRCCGTLMXVSK-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 = 50065513   
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)
BDBM50065513
PNG
(4-[2-Oxazol-2-yl-5-(thiophen-3-ylmethoxy)-phenoxy]...)
Show SMILES Cc1ccccc1C(CCC(O)=O)Oc1cc(OCc2ccsc2)ccc1-c1ncco1
Show InChI InChI=1S/C25H23NO5S/c1-17-4-2-3-5-20(17)22(8-9-24(27)28)31-23-14-19(30-15-18-10-13-32-16-18)6-7-21(23)25-26-11-12-29-25/h2-7,10-14,16,22H,8-9,15H2,1H3,(H,27,28)
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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)
BDBM50065513
PNG
(4-[2-Oxazol-2-yl-5-(thiophen-3-ylmethoxy)-phenoxy]...)
Show SMILES Cc1ccccc1C(CCC(O)=O)Oc1cc(OCc2ccsc2)ccc1-c1ncco1
Show InChI InChI=1S/C25H23NO5S/c1-17-4-2-3-5-20(17)22(8-9-24(27)28)31-23-14-19(30-15-18-10-13-32-16-18)6-7-21(23)25-26-11-12-29-25/h2-7,10-14,16,22H,8-9,15H2,1H3,(H,27,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 20n/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