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7 similar compounds to monomer 50085833

Compile data set for download or QSAR
Wt: 417.4
BDBM50085830
Wt: 417.4
BDBM50085834
Wt: 431.4
BDBM50085847
Wt: 463.4
BDBM50085851
Wt: 471.3
BDBM50085855
Wt: 403.3
BDBM50085856
Wt: 373.4
BDBM50085860

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50085830,50085834,50085847,50085851,50085855,50085856,50085860   
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)
BDBM50085834
PNG
(CHEMBL172691 | [5-(Benzo[1,3]dioxol-4-ylmethoxy)-2...)
Show SMILES Cc1ccccc1C(Oc1cc(OCc2cccc3OCOc23)ccc1C#N)C(O)=O
Show InChI InChI=1S/C24H19NO6/c1-15-5-2-3-7-19(15)23(24(26)27)31-21-11-18(10-9-16(21)12-25)28-13-17-6-4-8-20-22(17)30-14-29-20/h2-11,23H,13-14H2,1H3,(H,26,27)
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n/an/a 3.00E+3n/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)
BDBM50085847
PNG
(CHEMBL171702 | [2-Cyano-5-(2,3-dihydro-benzo[1,4]d...)
Show SMILES Cc1ccccc1C(Oc1cc(OCc2ccc3OCCOc3c2)ccc1C#N)C(O)=O
Show InChI InChI=1S/C25H21NO6/c1-16-4-2-3-5-20(16)24(25(27)28)32-22-13-19(8-7-18(22)14-26)31-15-17-6-9-21-23(12-17)30-11-10-29-21/h2-9,12-13,24H,10-11,15H2,1H3,(H,27,28)
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n/an/a 1.50E+3n/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)
BDBM50085851
PNG
(CHEMBL171760 | [2-Cyano-5-(3,4,5-trimethoxy-benzyl...)
Show SMILES COc1cc(COc2ccc(C#N)c(OC(C(O)=O)c3ccccc3C)c2)cc(OC)c1OC
Show InChI InChI=1S/C26H25NO7/c1-16-7-5-6-8-20(16)24(26(28)29)34-21-13-19(10-9-18(21)14-27)33-15-17-11-22(30-2)25(32-4)23(12-17)31-3/h5-13,24H,15H2,1-4H3,(H,28,29)
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n/an/a>3.00E+3n/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)
BDBM50085860
PNG
((5-Benzyloxy-2-cyano-phenoxy)-o-tolyl-acetic acid ...)
Show SMILES Cc1ccccc1C(Oc1cc(OCc2ccccc2)ccc1C#N)C(O)=O
Show InChI InChI=1S/C23H19NO4/c1-16-7-5-6-10-20(16)22(23(25)26)28-21-13-19(12-11-18(21)14-24)27-15-17-8-3-2-4-9-17/h2-13,22H,15H2,1H3,(H,25,26)
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n/an/a 49n/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)
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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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)
BDBM50085855
PNG
(CHEMBL170202 | [5-(Benzo[1,3]dioxol-5-ylmethoxy)-2...)
Show SMILES OC(=O)C(Oc1cc(OCc2ccc3OCOc3c2)ccc1C#N)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C24H16F3NO6/c25-24(26,27)18-4-2-1-3-17(18)22(23(29)30)34-20-10-16(7-6-15(20)11-28)31-12-14-5-8-19-21(9-14)33-13-32-19/h1-10,22H,12-13H2,(H,29,30)
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n/an/a 16n/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)
BDBM50085856
PNG
(CHEMBL355413 | [5-(Benzo[1,3]dioxol-5-ylmethoxy)-2...)
Show SMILES OC(=O)C(Oc1cc(OCc2ccc3OCOc3c2)ccc1C#N)c1ccccc1
Show InChI InChI=1S/C23H17NO6/c24-12-17-7-8-18(27-13-15-6-9-19-21(10-15)29-14-28-19)11-20(17)30-22(23(25)26)16-4-2-1-3-5-16/h1-11,22H,13-14H2,(H,25,26)
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n/an/a 41n/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