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9 similar compounds to monomer 50085835

Compile data set for download or QSAR
Wt: 433.4
BDBM50085837
Wt: 399.8
BDBM50085841
Wt: 401.4
BDBM50085846
Wt: 395.4
BDBM50085848
Wt: 371.4
BDBM50085850
Wt: 365.4
BDBM50085852
Wt: 383.3
BDBM50085854
Wt: 373.4
BDBM50085860
Wt: 399.8
BDBM50085863

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50085837,50085841,50085846,50085848,50085850,50085852,50085854,50085860,50085863   
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)
BDBM50085837
PNG
(CHEMBL170715 | [2-Cyano-5-(thiophen-3-ylmethoxy)-p...)
Show SMILES OC(=O)C(Oc1cc(OCc2ccsc2)ccc1C#N)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C21H14F3NO4S/c22-21(23,24)17-4-2-1-3-16(17)19(20(26)27)29-18-9-15(6-5-14(18)10-25)28-11-13-7-8-30-12-13/h1-9,12,19H,11H2,(H,26,27)
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n/an/a 53n/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)
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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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)
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)
BDBM50085848
PNG
(CHEMBL172164 | [2-Cyano-5-(thiophen-3-ylmethoxy)-p...)
Show SMILES COc1ccccc1C(Oc1cc(OCc2ccsc2)ccc1C#N)C(O)=O
Show InChI InChI=1S/C21H17NO5S/c1-25-18-5-3-2-4-17(18)20(21(23)24)27-19-10-16(7-6-15(19)11-22)26-12-14-8-9-28-13-14/h2-10,13,20H,12H2,1H3,(H,23,24)
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n/an/a 529n/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)
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)
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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
EDNRA


(RAT)
BDBM50085854
PNG
(CHEMBL171638 | [2-Cyano-5-(thiophen-3-ylmethoxy)-p...)
Show SMILES OC(=O)C(Oc1cc(OCc2ccsc2)ccc1C#N)c1ccccc1F
Show InChI InChI=1S/C20H14FNO4S/c21-17-4-2-1-3-16(17)19(20(23)24)26-18-9-15(6-5-14(18)10-22)25-11-13-7-8-27-12-13/h1-9,12,19H,11H2,(H,23,24)
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n/an/a 22n/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)
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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)
BDBM50085850
PNG
(CHEMBL172879 | [2-Cyano-5-(thiophen-3-ylmethoxy)-p...)
Show SMILES OC(=O)C(Oc1cc(OCc2ccsc2)ccc1C#N)c1ccsc1
Show InChI InChI=1S/C18H13NO4S2/c19-8-13-1-2-15(22-9-12-3-5-24-10-12)7-16(13)23-17(18(20)21)14-4-6-25-11-14/h1-7,10-11,17H,9H2,(H,20,21)
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n/an/a 630n/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