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2 similar compounds to monomer 50085845

Compile data set for download or QSAR
Wt: 414.4
BDBM50085843
Wt: 434.8
BDBM50085861

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50085843,50085861   
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)
BDBM50085861
PNG
(CHEMBL170681 | [5-(Benzooxazol-6-ylmethoxy)-2-cyan...)
Show SMILES OC(=O)C(Oc1cc(OCc2ccc3ncoc3c2)ccc1C#N)c1ccccc1Cl
Show InChI InChI=1S/C23H15ClN2O5/c24-18-4-2-1-3-17(18)22(23(27)28)31-20-10-16(7-6-15(20)11-25)29-12-14-5-8-19-21(9-14)30-13-26-19/h1-10,13,22H,12H2,(H,27,28)
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KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.


J Med Chem 43: 900-10 (2000)


Article DOI: 10.1021/jm990378b
BindingDB Entry DOI: 10.7270/Q2154G73
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50085843
PNG
(CHEMBL173444 | [5-(Benzooxazol-5-ylmethoxy)-2-cyan...)
Show SMILES Cc1ccccc1C(Oc1cc(OCc2ccc3ocnc3c2)ccc1C#N)C(O)=O
Show InChI InChI=1S/C24H18N2O5/c1-15-4-2-3-5-19(15)23(24(27)28)31-22-11-18(8-7-17(22)12-25)29-13-16-6-9-21-20(10-16)26-14-30-21/h2-11,14,23H,13H2,1H3,(H,27,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 75n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.


J Med Chem 43: 900-10 (2000)


Article DOI: 10.1021/jm990378b
BindingDB Entry DOI: 10.7270/Q2154G73
More data for this
Ligand-Target Pair