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9 similar compounds to monomer 50085860

Compile data set for download or QSAR
Wt: 417.4
BDBM50085830
Wt: 374.3
BDBM50085831
Wt: 416.4
BDBM50085833
Wt: 379.4
BDBM50085835
Wt: 363.3
BDBM50085836
Wt: 401.4
BDBM50085846
Wt: 431.4
BDBM50085847
Wt: 463.4
BDBM50085851
Wt: 373.3
BDBM50085853

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50085830,50085831,50085833,50085835,50085836,50085846,50085847,50085851,50085853   
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)
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
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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
EDNRA


(RAT)
BDBM50085835
PNG
(CHEMBL427294 | [2-Cyano-5-(thiophen-3-ylmethoxy)-p...)
Show SMILES Cc1ccccc1C(Oc1cc(OCc2ccsc2)ccc1C#N)C(O)=O
Show InChI InChI=1S/C21H17NO4S/c1-14-4-2-3-5-18(14)20(21(23)24)26-19-10-17(7-6-16(19)11-22)25-12-15-8-9-27-13-15/h2-10,13,20H,12H2,1H3,(H,23,24)
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n/an/a 20n/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)
BDBM50085836
PNG
(CHEMBL172412 | [2-Cyano-5-(furan-3-ylmethoxy)-phen...)
Show SMILES Cc1ccccc1C(Oc1cc(OCc2ccoc2)ccc1C#N)C(O)=O
Show InChI InChI=1S/C21H17NO5/c1-14-4-2-3-5-18(14)20(21(23)24)27-19-10-17(7-6-16(19)11-22)26-13-15-8-9-25-12-15/h2-10,12,20H,13H2,1H3,(H,23,24)
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n/an/a 68n/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)
BDBM50085846
PNG
(CHEMBL173054 | [2-Cyano-5-(2,6-dimethyl-benzyloxy)...)
Show SMILES Cc1ccccc1C(Oc1cc(OCc2c(C)cccc2C)ccc1C#N)C(O)=O
Show InChI InChI=1S/C25H23NO4/c1-16-7-4-5-10-21(16)24(25(27)28)30-23-13-20(12-11-19(23)14-26)29-15-22-17(2)8-6-9-18(22)3/h4-13,24H,15H2,1-3H3,(H,27,28)
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n/an/a 857n/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)
BDBM50085831
PNG
(CHEMBL174092 | [2-Cyano-5-(pyridin-4-ylmethoxy)-ph...)
Show SMILES Cc1ccccc1C(Oc1cc(OCc2ccncc2)ccc1C#N)C(O)=O
Show InChI InChI=1S/C22H18N2O4/c1-15-4-2-3-5-19(15)21(22(25)26)28-20-12-18(7-6-17(20)13-23)27-14-16-8-10-24-11-9-16/h2-12,21H,14H2,1H3,(H,25,26)
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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)
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)
BDBM50085853
PNG
(CHEMBL173251 | Sodium; [2-cyano-5-(pyridin-4-ylmet...)
Show SMILES Cc1ccccc1C(Oc1cc(OCc2ccncc2)ccc1C#N)C([O-])=O
Show InChI InChI=1S/C22H18N2O4/c1-15-4-2-3-5-19(15)21(22(25)26)28-20-12-18(7-6-17(20)13-23)27-14-16-8-10-24-11-9-16/h2-12,21H,14H2,1H3,(H,25,26)/p-1
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n/an/a 5n/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)
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