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3 similar compounds to monomer 50085840

Compile data set for download or QSAR
Wt: 399.8
BDBM50085841
Wt: 365.4
BDBM50085852
Wt: 399.8
BDBM50085863

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50085841,50085852,50085863   
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)
BDBM50085841
PNG
((4-Chloro-phenyl)-[2-cyano-5-(thiophen-3-ylmethoxy...)
Show SMILES OC(=O)C(Oc1cc(OCc2ccsc2)ccc1C#N)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H14ClNO4S/c21-16-4-1-14(2-5-16)19(20(23)24)26-18-9-17(6-3-15(18)10-22)25-11-13-7-8-27-12-13/h1-9,12,19H,11H2,(H,23,24)
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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 504n/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)
BDBM50085863
PNG
((3-Chloro-phenyl)-[2-cyano-5-(thiophen-3-ylmethoxy...)
Show SMILES OC(=O)C(Oc1cc(OCc2ccsc2)ccc1C#N)c1cccc(Cl)c1
Show InChI InChI=1S/C20H14ClNO4S/c21-16-3-1-2-14(8-16)19(20(23)24)26-18-9-17(5-4-15(18)10-22)25-11-13-6-7-27-12-13/h1-9,12,19H,11H2,(H,23,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 98n/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)
BDBM50085852
PNG
(CHEMBL174229 | [2-Cyano-5-(thiophen-3-ylmethoxy)-p...)
Show SMILES OC(=O)C(Oc1cc(OCc2ccsc2)ccc1C#N)c1ccccc1
Show InChI InChI=1S/C20H15NO4S/c21-11-16-6-7-17(24-12-14-8-9-26-13-14)10-18(16)25-19(20(22)23)15-4-2-1-3-5-15/h1-10,13,19H,12H2,(H,22,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 70n/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