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2 similar compounds to monomer 50065512

Compile data set for download or QSAR
Wt: 426.4
BDBM50065510
Wt: 424.5
BDBM50065521

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50065510,50065521   
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)
BDBM50065510
PNG
(2-(3-Carboxy-1-o-tolyl-propoxy)-4-(thiophen-3-ylme...)
Show SMILES Cc1ccccc1C(CCC(O)=O)Oc1cc(OCc2ccsc2)ccc1C(O)=O
Show InChI InChI=1S/C23H22O6S/c1-15-4-2-3-5-18(15)20(8-9-22(24)25)29-21-12-17(6-7-19(21)23(26)27)28-13-16-10-11-30-14-16/h2-7,10-12,14,20H,8-9,13H2,1H3,(H,24,25)(H,26,27)
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PC sid
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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)
BDBM50065521
PNG
(4-[2-Acetyl-5-(thiophen-3-ylmethoxy)-phenoxy]-4-o-...)
Show SMILES CC(=O)c1ccc(OCc2ccsc2)cc1OC(CCC(O)=O)c1ccccc1C
Show InChI InChI=1S/C24H24O5S/c1-16-5-3-4-6-20(16)22(9-10-24(26)27)29-23-13-19(7-8-21(23)17(2)25)28-14-18-11-12-30-15-18/h3-8,11-13,15,22H,9-10,14H2,1-2H3,(H,26,27)
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PC sid
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Article
PubMed
n/an/a 26n/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)
BDBM50065521
PNG
(4-[2-Acetyl-5-(thiophen-3-ylmethoxy)-phenoxy]-4-o-...)
Show SMILES CC(=O)c1ccc(OCc2ccsc2)cc1OC(CCC(O)=O)c1ccccc1C
Show InChI InChI=1S/C24H24O5S/c1-16-5-3-4-6-20(16)22(9-10-24(26)27)29-23-13-19(7-8-21(23)17(2)25)28-14-18-11-12-30-15-18/h3-8,11-13,15,22H,9-10,14H2,1-2H3,(H,26,27)
Reactome pathway
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


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
EDNRA


(RAT)
BDBM50065510
PNG
(2-(3-Carboxy-1-o-tolyl-propoxy)-4-(thiophen-3-ylme...)
Show SMILES Cc1ccccc1C(CCC(O)=O)Oc1cc(OCc2ccsc2)ccc1C(O)=O
Show InChI InChI=1S/C23H22O6S/c1-15-4-2-3-5-18(15)20(8-9-22(24)25)29-21-12-17(6-7-19(21)23(26)27)28-13-16-10-11-30-14-16/h2-7,10-12,14,20H,8-9,13H2,1H3,(H,24,25)(H,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 207n/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