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9 similar compounds to monomer 50291478

Compile data set for download or QSAR
Wt: 515.3
BDBM50291471
Wt: 457.3
BDBM50291473
Wt: 473.3
BDBM50291479
Wt: 471.3
BDBM50291481
Wt: 443.2
BDBM50289928
Wt: 471.3
BDBM50289929
Wt: 457.3
BDBM50289935
Wt: 457.3
BDBM50289943
Wt: 457.3
BDBM50289947

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50291471,50291473,50291479,50291481,50289928,50289929,50289935,50289943,50289947   
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
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50289928
PNG
(3-(4-Bromo-3-methyl-isoxazol-5-ylsulfamoyl)-thioph...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Oc2ccccc2)c1Br
Show InChI InChI=1S/C15H11BrN2O5S2/c1-9-12(16)14(23-17-9)18-25(20,21)11-7-8-24-13(11)15(19)22-10-5-3-2-4-6-10/h2-8,18H,1H3
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n/an/a 2.71E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity in a radioligand binding experiment by competition with [125I]-labeled endothelin-1 for ETA receptor


Bioorg Med Chem Lett 7: 2093-2098 (1997)


Article DOI: 10.1016/S0960-894X(97)00367-3
BindingDB Entry DOI: 10.7270/Q2WH2PZF
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50291481
PNG
(2-(2,4,6-Trimethyl-phenoxymethyl)-thiophene-3-sulf...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2COc2c(C)cc(C)cc2C)c1Br
Show InChI InChI=1S/C18H19BrN2O4S2/c1-10-7-11(2)17(12(3)8-10)24-9-14-15(5-6-26-14)27(22,23)21-18-16(19)13(4)20-25-18/h5-8,21H,9H2,1-4H3
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n/an/a 6.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory of human Endothelin A receptor by using I-ET-1 as radioligand in a competitive radioligand assay


Bioorg Med Chem Lett 7: 939-944 (1997)


Article DOI: 10.1016/S0960-894X(97)00133-9
BindingDB Entry DOI: 10.7270/Q2959HKC
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50289935
PNG
(3-(4-Bromo-3-methyl-isoxazol-5-ylsulfamoyl)-thioph...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Oc2cccc(C)c2)c1Br
Show InChI InChI=1S/C16H13BrN2O5S2/c1-9-4-3-5-11(8-9)23-16(20)14-12(6-7-25-14)26(21,22)19-15-13(17)10(2)18-24-15/h3-8,19H,1-2H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity in a radioligand binding experiment by competition with [125I]-labeled endothelin-1 for ETA receptor


Bioorg Med Chem Lett 7: 2093-2098 (1997)


Article DOI: 10.1016/S0960-894X(97)00367-3
BindingDB Entry DOI: 10.7270/Q2WH2PZF
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50289929
PNG
(3-(4-Bromo-3-methyl-isoxazol-5-ylsulfamoyl)-thioph...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Oc2ccc(C)cc2C)c1Br
Show InChI InChI=1S/C17H15BrN2O5S2/c1-9-4-5-12(10(2)8-9)24-17(21)15-13(6-7-26-15)27(22,23)20-16-14(18)11(3)19-25-16/h4-8,20H,1-3H3
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n/an/a 290n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity in a radioligand binding experiment by competition with [125I]-labeled endothelin-1 for ETA receptor


Bioorg Med Chem Lett 7: 2093-2098 (1997)


Article DOI: 10.1016/S0960-894X(97)00367-3
BindingDB Entry DOI: 10.7270/Q2WH2PZF
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50289928
PNG
(3-(4-Bromo-3-methyl-isoxazol-5-ylsulfamoyl)-thioph...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Oc2ccccc2)c1Br
Show InChI InChI=1S/C15H11BrN2O5S2/c1-9-12(16)14(23-17-9)18-25(20,21)11-7-8-24-13(11)15(19)22-10-5-3-2-4-6-10/h2-8,18H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity in a radioligand binding experiment by competition with [125I]-labeled endothelin-1 for ETB receptor


Bioorg Med Chem Lett 7: 2093-2098 (1997)


Article DOI: 10.1016/S0960-894X(97)00367-3
BindingDB Entry DOI: 10.7270/Q2WH2PZF
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50289943
PNG
(3-(4-Bromo-3-methyl-isoxazol-5-ylsulfamoyl)-thioph...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Oc2ccc(C)cc2)c1Br
Show InChI InChI=1S/C16H13BrN2O5S2/c1-9-3-5-11(6-4-9)23-16(20)14-12(7-8-25-14)26(21,22)19-15-13(17)10(2)18-24-15/h3-8,19H,1-2H3
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n/an/a 9.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity in a radioligand binding experiment by competition with [125I]-labeled endothelin-1 for ETA receptor


Bioorg Med Chem Lett 7: 2093-2098 (1997)


Article DOI: 10.1016/S0960-894X(97)00367-3
BindingDB Entry DOI: 10.7270/Q2WH2PZF
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50289935
PNG
(3-(4-Bromo-3-methyl-isoxazol-5-ylsulfamoyl)-thioph...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Oc2cccc(C)c2)c1Br
Show InChI InChI=1S/C16H13BrN2O5S2/c1-9-4-3-5-11(8-9)23-16(20)14-12(6-7-25-14)26(21,22)19-15-13(17)10(2)18-24-15/h3-8,19H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity in a radioligand binding experiment by competition with [125I]-labeled endothelin-1 for ETB receptor


Bioorg Med Chem Lett 7: 2093-2098 (1997)


Article DOI: 10.1016/S0960-894X(97)00367-3
BindingDB Entry DOI: 10.7270/Q2WH2PZF
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50289943
PNG
(3-(4-Bromo-3-methyl-isoxazol-5-ylsulfamoyl)-thioph...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Oc2ccc(C)cc2)c1Br
Show InChI InChI=1S/C16H13BrN2O5S2/c1-9-3-5-11(6-4-9)23-16(20)14-12(7-8-25-14)26(21,22)19-15-13(17)10(2)18-24-15/h3-8,19H,1-2H3
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n/an/a 9.21E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity in a radioligand binding experiment by competition with [125I]-labeled endothelin-1 for ETB receptor


Bioorg Med Chem Lett 7: 2093-2098 (1997)


Article DOI: 10.1016/S0960-894X(97)00367-3
BindingDB Entry DOI: 10.7270/Q2WH2PZF
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50289947
PNG
(3-(4-Bromo-3-methyl-isoxazol-5-ylsulfamoyl)-thioph...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Oc2ccccc2C)c1Br
Show InChI InChI=1S/C16H13BrN2O5S2/c1-9-5-3-4-6-11(9)23-16(20)14-12(7-8-25-14)26(21,22)19-15-13(17)10(2)18-24-15/h3-8,19H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity in a radioligand binding experiment by competition with [125I]-labeled endothelin-1 for ETB receptor


Bioorg Med Chem Lett 7: 2093-2098 (1997)


Article DOI: 10.1016/S0960-894X(97)00367-3
BindingDB Entry DOI: 10.7270/Q2WH2PZF
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50289947
PNG
(3-(4-Bromo-3-methyl-isoxazol-5-ylsulfamoyl)-thioph...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Oc2ccccc2C)c1Br
Show InChI InChI=1S/C16H13BrN2O5S2/c1-9-5-3-4-6-11(9)23-16(20)14-12(7-8-25-14)26(21,22)19-15-13(17)10(2)18-24-15/h3-8,19H,1-2H3
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n/an/a 680n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity in a radioligand binding experiment by competition with [125I]-labeled endothelin-1 for ETA receptor


Bioorg Med Chem Lett 7: 2093-2098 (1997)


Article DOI: 10.1016/S0960-894X(97)00367-3
BindingDB Entry DOI: 10.7270/Q2WH2PZF
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50291471
PNG
(2-(6-Propyl-benzo[1,3]dioxol-5-yloxymethyl)-thioph...)
Show SMILES CCCc1cc2OCOc2cc1OCc1sccc1S(=O)(=O)Nc1onc(C)c1Br
Show InChI InChI=1S/C19H19BrN2O6S2/c1-3-4-12-7-14-15(27-10-26-14)8-13(12)25-9-16-17(5-6-29-16)30(23,24)22-19-18(20)11(2)21-28-19/h5-8,22H,3-4,9-10H2,1-2H3
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n/an/a 335n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of I-ET-1 binding to human Endothelin B receptor


Bioorg Med Chem Lett 7: 933-938 (1997)


Article DOI: 10.1016/S0960-894X(97)00132-7
BindingDB Entry DOI: 10.7270/Q2DV1JWM
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50291473
PNG
(2-(2,4-Dimethyl-phenoxymethyl)-thiophene-3-sulfoni...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2COc2ccc(C)cc2C)c1Br
Show InChI InChI=1S/C17H17BrN2O4S2/c1-10-4-5-13(11(2)8-10)23-9-14-15(6-7-25-14)26(21,22)20-17-16(18)12(3)19-24-17/h4-8,20H,9H2,1-3H3
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n/an/a 308n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of I-ET-1 binding to human Endothelin A receptor


Bioorg Med Chem Lett 7: 933-938 (1997)


Article DOI: 10.1016/S0960-894X(97)00132-7
BindingDB Entry DOI: 10.7270/Q2DV1JWM
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50291479
PNG
(2-(Benzo[1,3]dioxol-5-yloxymethyl)-thiophene-3-sul...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2COc2ccc3OCOc3c2)c1Br
Show InChI InChI=1S/C16H13BrN2O6S2/c1-9-15(17)16(25-18-9)19-27(20,21)14-4-5-26-13(14)7-22-10-2-3-11-12(6-10)24-8-23-11/h2-6,19H,7-8H2,1H3
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n/an/a 299n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of I-ET-1 binding to human Endothelin A receptor


Bioorg Med Chem Lett 7: 933-938 (1997)


Article DOI: 10.1016/S0960-894X(97)00132-7
BindingDB Entry DOI: 10.7270/Q2DV1JWM
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50291473
PNG
(2-(2,4-Dimethyl-phenoxymethyl)-thiophene-3-sulfoni...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2COc2ccc(C)cc2C)c1Br
Show InChI InChI=1S/C17H17BrN2O4S2/c1-10-4-5-13(11(2)8-10)23-9-14-15(6-7-25-14)26(21,22)20-17-16(18)12(3)19-24-17/h4-8,20H,9H2,1-3H3
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n/an/a 4.48E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of I-ET-1 binding to human Endothelin B receptor


Bioorg Med Chem Lett 7: 933-938 (1997)


Article DOI: 10.1016/S0960-894X(97)00132-7
BindingDB Entry DOI: 10.7270/Q2DV1JWM
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50291471
PNG
(2-(6-Propyl-benzo[1,3]dioxol-5-yloxymethyl)-thioph...)
Show SMILES CCCc1cc2OCOc2cc1OCc1sccc1S(=O)(=O)Nc1onc(C)c1Br
Show InChI InChI=1S/C19H19BrN2O6S2/c1-3-4-12-7-14-15(27-10-26-14)8-13(12)25-9-16-17(5-6-29-16)30(23,24)22-19-18(20)11(2)21-28-19/h5-8,22H,3-4,9-10H2,1-2H3
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n/an/a 104n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of I-ET-1 binding to human Endothelin A receptor


Bioorg Med Chem Lett 7: 933-938 (1997)


Article DOI: 10.1016/S0960-894X(97)00132-7
BindingDB Entry DOI: 10.7270/Q2DV1JWM
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50291481
PNG
(2-(2,4,6-Trimethyl-phenoxymethyl)-thiophene-3-sulf...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2COc2c(C)cc(C)cc2C)c1Br
Show InChI InChI=1S/C18H19BrN2O4S2/c1-10-7-11(2)17(12(3)8-10)24-9-14-15(5-6-26-14)27(22,23)21-18-16(19)13(4)20-25-18/h5-8,21H,9H2,1-4H3
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n/an/a 62n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of I-ET-1 binding to human Endothelin A receptor


Bioorg Med Chem Lett 7: 933-938 (1997)


Article DOI: 10.1016/S0960-894X(97)00132-7
BindingDB Entry DOI: 10.7270/Q2DV1JWM
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50291481
PNG
(2-(2,4,6-Trimethyl-phenoxymethyl)-thiophene-3-sulf...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2COc2c(C)cc(C)cc2C)c1Br
Show InChI InChI=1S/C18H19BrN2O4S2/c1-10-7-11(2)17(12(3)8-10)24-9-14-15(5-6-26-14)27(22,23)21-18-16(19)13(4)20-25-18/h5-8,21H,9H2,1-4H3
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n/an/a 3.07E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of I-ET-1 binding to human Endothelin B receptor


Bioorg Med Chem Lett 7: 933-938 (1997)


Article DOI: 10.1016/S0960-894X(97)00132-7
BindingDB Entry DOI: 10.7270/Q2DV1JWM
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50291479
PNG
(2-(Benzo[1,3]dioxol-5-yloxymethyl)-thiophene-3-sul...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2COc2ccc3OCOc3c2)c1Br
Show InChI InChI=1S/C16H13BrN2O6S2/c1-9-15(17)16(25-18-9)19-27(20,21)14-4-5-26-13(14)7-22-10-2-3-11-12(6-10)24-8-23-11/h2-6,19H,7-8H2,1H3
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n/an/a 5.93E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of I-ET-1 binding to human Endothelin B receptor


Bioorg Med Chem Lett 7: 933-938 (1997)


Article DOI: 10.1016/S0960-894X(97)00132-7
BindingDB Entry DOI: 10.7270/Q2DV1JWM
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50289929
PNG
(3-(4-Bromo-3-methyl-isoxazol-5-ylsulfamoyl)-thioph...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Oc2ccc(C)cc2C)c1Br
Show InChI InChI=1S/C17H15BrN2O5S2/c1-9-4-5-12(10(2)8-9)24-17(21)15-13(6-7-26-15)27(22,23)20-16-14(18)11(3)19-25-16/h4-8,20H,1-3H3
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n/an/a 4.32E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity in a radioligand binding experiment by competition with [125I]-labeled endothelin-1 for ETB receptor


Bioorg Med Chem Lett 7: 2093-2098 (1997)


Article DOI: 10.1016/S0960-894X(97)00367-3
BindingDB Entry DOI: 10.7270/Q2WH2PZF
More data for this
Ligand-Target Pair