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2 similar compounds to monomer 50085855

Compile data set for download or QSAR
Wt: 417.4
BDBM50085830
Wt: 416.4
BDBM50085833

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50085830,50085833   
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)
BDBM50085830
PNG
(CHEMBL173792 | [5-(Benzo[1,3]dioxol-5-ylmethoxy)-2...)
Show SMILES Cc1ccccc1C(Oc1cc(OCc2ccc3OCOc3c2)ccc1C#N)C(O)=O
Show InChI InChI=1S/C24H19NO6/c1-15-4-2-3-5-19(15)23(24(26)27)31-21-11-18(8-7-17(21)12-25)28-13-16-6-9-20-22(10-16)30-14-29-20/h2-11,23H,13-14H2,1H3,(H,26,27)
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KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 12n/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)
BDBM50085833
PNG
(CHEMBL172144 | Sodium; [5-(benzo[1,3]dioxol-5-ylme...)
Show SMILES Cc1ccccc1C(Oc1cc(OCc2ccc3OCOc3c2)ccc1C#N)C([O-])=O
Show InChI InChI=1S/C24H19NO6/c1-15-4-2-3-5-19(15)23(24(26)27)31-21-11-18(8-7-17(21)12-25)28-13-16-6-9-20-22(10-16)30-14-29-20/h2-11,23H,13-14H2,1H3,(H,26,27)/p-1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/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