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Articleid 50030136

Compile data set for download or QSAR
Found 47 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50291482
PNG
(2-[2-(2,4,6-Trimethyl-phenyl)-vinyl]-thiophene-3-s...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2\C=C\c2c(C)cc(C)cc2C)c1Br
Show InChI InChI=1S/C19H19BrN2O3S2/c1-11-9-12(2)15(13(3)10-11)5-6-16-17(7-8-26-16)27(23,24)22-19-18(20)14(4)21-25-19/h5-10,22H,1-4H3/b6-5+
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n/an/a 44n/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))		BDBM50291503
PNG
(2-[2-(2,4,6-Trimethyl-phenyl)-ethyl]-thiophene-3-s...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2CCc2c(C)cc(C)cc2C)c1Br
Show InChI InChI=1S/C19H21BrN2O3S2/c1-11-9-12(2)15(13(3)10-11)5-6-16-17(7-8-26-16)27(23,24)22-19-18(20)14(4)21-25-19/h7-10,22H,5-6H2,1-4H3
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n/an/a 46n/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))		BDBM50291490
PNG
(3-[2-(2,4,6-Trimethyl-phenyl)-vinyl]-thiophene-2-s...)
Show SMILES Cc1noc(NS(=O)(=O)c2sccc2\C=C\c2c(C)cc(C)cc2C)c1Br
Show InChI InChI=1S/C19H19BrN2O3S2/c1-11-9-12(2)16(13(3)10-11)6-5-15-7-8-26-19(15)27(23,24)22-18-17(20)14(4)21-25-18/h5-10,22H,1-4H3/b6-5+
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n/an/a 53n/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))		BDBM50291499
PNG
(2-[2-(2,4-Dimethyl-phenyl)-ethyl]-thiophene-3-sulf...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2CCc2ccc(C)cc2C)c1Br
Show InChI InChI=1S/C18H19BrN2O3S2/c1-11-4-5-14(12(2)10-11)6-7-15-16(8-9-25-15)26(22,23)21-18-17(19)13(3)20-24-18/h4-5,8-10,21H,6-7H2,1-3H3
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n/an/a 55n/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))		BDBM50291489
PNG
(3-[2-(2,4,6-Trimethyl-phenyl)-ethyl]-thiophene-2-s...)
Show SMILES Cc1noc(NS(=O)(=O)c2sccc2CCc2c(C)cc(C)cc2C)c1Br
Show InChI InChI=1S/C19H21BrN2O3S2/c1-11-9-12(2)16(13(3)10-11)6-5-15-7-8-26-19(15)27(23,24)22-18-17(20)14(4)21-25-18/h7-10,22H,5-6H2,1-4H3
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n/an/a 58n/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))		BDBM50291486
PNG
(2-[2-(6-Methyl-benzo[1,3]dioxol-5-yl)-ethyl]-thiop...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2CCc2cc3OCOc3cc2C)c1Br
Show InChI InChI=1S/C18H17BrN2O5S2/c1-10-7-13-14(25-9-24-13)8-12(10)3-4-15-16(5-6-27-15)28(22,23)21-18-17(19)11(2)20-26-18/h5-8,21H,3-4,9H2,1-2H3
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n/an/a 62n/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))		BDBM50291491
PNG
(3-[2-(6-Methyl-benzo[1,3]dioxol-5-yl)-vinyl]-thiop...)
Show SMILES Cc1noc(NS(=O)(=O)c2sccc2\C=C\c2cc3OCOc3cc2C)c1Br
Show InChI InChI=1S/C18H15BrN2O5S2/c1-10-7-14-15(25-9-24-14)8-13(10)4-3-12-5-6-27-18(12)28(22,23)21-17-16(19)11(2)20-26-17/h3-8,21H,9H2,1-2H3/b4-3+
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n/an/a 72n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity of cloned human ETA 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))		BDBM50291498
PNG
(3-{2-[6-(Tetrahydro-pyran-4-yloxymethyl)-benzo[1,3...)
Show SMILES Cc1noc(NS(=O)(=O)c2sccc2\C=C\c2cc3OCOc3cc2COC2CCOCC2)c1Br
Show InChI InChI=1S/C23H23BrN2O7S2/c1-14-21(24)22(33-25-14)26-35(27,28)23-15(6-9-34-23)2-3-16-10-19-20(32-13-31-19)11-17(16)12-30-18-4-7-29-8-5-18/h2-3,6,9-11,18,26H,4-5,7-8,12-13H2,1H3/b3-2+
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n/an/a 73n/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))		BDBM50291484
PNG
(3-[2-(6-Hydroxymethyl-benzo[1,3]dioxol-5-yl)-vinyl...)
Show SMILES Cc1noc(NS(=O)(=O)c2sccc2\C=C\c2cc3OCOc3cc2CO)c1Br
Show InChI InChI=1S/C18H15BrN2O6S2/c1-10-16(19)17(27-20-10)21-29(23,24)18-11(4-5-28-18)2-3-12-6-14-15(26-9-25-14)7-13(12)8-22/h2-7,21-22H,8-9H2,1H3/b3-2+
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n/an/a 79n/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))		BDBM50291488
PNG
(2-[2-(6-Methyl-benzo[1,3]dioxol-5-yl)-vinyl]-thiop...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2\C=C\c2cc3OCOc3cc2C)c1Br
Show InChI InChI=1S/C18H15BrN2O5S2/c1-10-7-13-14(25-9-24-13)8-12(10)3-4-15-16(5-6-27-15)28(22,23)21-18-17(19)11(2)20-26-18/h3-8,21H,9H2,1-2H3/b4-3+
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n/an/a 81n/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))		BDBM50291500
PNG
(3-[2-(6-Methyl-benzo[1,3]dioxol-5-yl)-ethyl]-thiop...)
Show SMILES Cc1noc(NS(=O)(=O)c2sccc2CCc2cc3OCOc3cc2C)c1Br
Show InChI InChI=1S/C18H17BrN2O5S2/c1-10-7-14-15(25-9-24-14)8-13(10)4-3-12-5-6-27-18(12)28(22,23)21-17-16(19)11(2)20-26-17/h5-8,21H,3-4,9H2,1-2H3
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n/an/a 91n/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))		BDBM50291496
PNG
(3-[2-(2,4-Dimethyl-phenyl)-ethyl]-thiophene-2-sulf...)
Show SMILES Cc1noc(NS(=O)(=O)c2sccc2CCc2ccc(C)cc2C)c1Br
Show InChI InChI=1S/C18H19BrN2O3S2/c1-11-4-5-14(12(2)10-11)6-7-15-8-9-25-18(15)26(22,23)21-17-16(19)13(3)20-24-17/h4-5,8-10,21H,6-7H2,1-3H3
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n/an/a 102n/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))		BDBM50291501
PNG
(2-(2-p-Tolyl-ethyl)-thiophene-3-sulfonic acid (4-b...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2CCc2ccc(C)cc2)c1Br
Show InChI InChI=1S/C17H17BrN2O3S2/c1-11-3-5-13(6-4-11)7-8-14-15(9-10-24-14)25(21,22)20-17-16(18)12(2)19-23-17/h3-6,9-10,20H,7-8H2,1-2H3
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n/an/a 106n/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))		BDBM50291492
PNG
(2-(2-Benzo[1,3]dioxol-5-yl-vinyl)-thiophene-3-sulf...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2\C=C\c2ccc3OCOc3c2)c1Br
Show InChI InChI=1S/C17H13BrN2O5S2/c1-10-16(18)17(25-19-10)20-27(21,22)15-6-7-26-14(15)5-3-11-2-4-12-13(8-11)24-9-23-12/h2-8,20H,9H2,1H3/b5-3+
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n/an/a 141n/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))		BDBM50291483
PNG
(2-[2-(2,4-Dimethyl-phenyl)-vinyl]-thiophene-3-sulf...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2\C=C\c2ccc(C)cc2C)c1Br
Show InChI InChI=1S/C18H17BrN2O3S2/c1-11-4-5-14(12(2)10-11)6-7-15-16(8-9-25-15)26(22,23)21-18-17(19)13(3)20-24-18/h4-10,21H,1-3H3/b7-6+
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n/an/a 166n/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))		BDBM50291495
PNG
(3-[2-(2,4-Dimethyl-phenyl)-vinyl]-thiophene-2-sulf...)
Show SMILES Cc1noc(NS(=O)(=O)c2sccc2\C=C\c2ccc(C)cc2C)c1Br
Show InChI InChI=1S/C18H17BrN2O3S2/c1-11-4-5-14(12(2)10-11)6-7-15-8-9-25-18(15)26(22,23)21-17-16(19)13(3)20-24-17/h4-10,21H,1-3H3/b7-6+
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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))		BDBM50291485
PNG
(2-(2-Benzo[1,3]dioxol-5-yl-ethyl)-thiophene-3-sulf...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2CCc2ccc3OCOc3c2)c1Br
Show InChI InChI=1S/C17H15BrN2O5S2/c1-10-16(18)17(25-19-10)20-27(21,22)15-6-7-26-14(15)5-3-11-2-4-12-13(8-11)24-9-23-12/h2,4,6-8,20H,3,5,9H2,1H3
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n/an/a 205n/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))		BDBM50291502
PNG
(3-(2-Benzo[1,3]dioxol-5-yl-vinyl)-thiophene-2-sulf...)
Show SMILES Cc1noc(NS(=O)(=O)c2sccc2\C=C\c2ccc3OCOc3c2)c1Br
Show InChI InChI=1S/C17H13BrN2O5S2/c1-10-15(18)16(25-19-10)20-27(21,22)17-12(6-7-26-17)4-2-11-3-5-13-14(8-11)24-9-23-13/h2-8,20H,9H2,1H3/b4-2+
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n/an/a 218n/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))		BDBM50291493
PNG
(2-(2-p-Tolyl-vinyl)-thiophene-3-sulfonic acid (4-b...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2\C=C\c2ccc(C)cc2)c1Br
Show InChI InChI=1S/C17H15BrN2O3S2/c1-11-3-5-13(6-4-11)7-8-14-15(9-10-24-14)25(21,22)20-17-16(18)12(2)19-23-17/h3-10,20H,1-2H3/b8-7+
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n/an/a 231n/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))		BDBM50291487
PNG
(3-(2-Benzo[1,3]dioxol-5-yl-ethyl)-thiophene-2-sulf...)
Show SMILES Cc1noc(NS(=O)(=O)c2sccc2CCc2ccc3OCOc3c2)c1Br
Show InChI InChI=1S/C17H15BrN2O5S2/c1-10-15(18)16(25-19-10)20-27(21,22)17-12(6-7-26-17)4-2-11-3-5-13-14(8-11)24-9-23-13/h3,5-8,20H,2,4,9H2,1H3
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n/an/a 237n/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))		BDBM50291494
PNG
(3-(2-p-Tolyl-ethyl)-thiophene-2-sulfonic acid (4-b...)
Show SMILES Cc1noc(NS(=O)(=O)c2sccc2CCc2ccc(C)cc2)c1Br
Show InChI InChI=1S/C17H17BrN2O3S2/c1-11-3-5-13(6-4-11)7-8-14-9-10-24-17(14)25(21,22)20-16-15(18)12(2)19-23-16/h3-6,9-10,20H,7-8H2,1-2H3
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n/an/a 347n/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))		BDBM50098772
PNG
(3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiop...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2c(C)cc(C)cc2C)c1Cl
Show InChI InChI=1S/C18H18ClN3O4S2/c1-9-7-10(2)15(11(3)8-9)20-17(23)16-13(5-6-27-16)28(24,25)22-18-14(19)12(4)21-26-18/h5-8,22H,1-4H3,(H,20,23)
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n/an/a 630n/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))		BDBM50291497
PNG
(3-(2-p-Tolyl-vinyl)-thiophene-2-sulfonic acid (4-b...)
Show SMILES Cc1noc(NS(=O)(=O)c2sccc2\C=C\c2ccc(C)cc2)c1Br
Show InChI InChI=1S/C17H15BrN2O3S2/c1-11-3-5-13(6-4-11)7-8-14-9-10-24-17(14)25(21,22)20-16-15(18)12(2)19-23-16/h3-10,20H,1-2H3/b8-7+
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n/an/a 936n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its activity in cloned 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 receptor type B


(Homo sapiens (Human))		BDBM50291489
PNG
(3-[2-(2,4,6-Trimethyl-phenyl)-ethyl]-thiophene-2-s...)
Show SMILES Cc1noc(NS(=O)(=O)c2sccc2CCc2c(C)cc(C)cc2C)c1Br
Show InChI InChI=1S/C19H21BrN2O3S2/c1-11-9-12(2)16(13(3)10-11)6-5-15-7-8-26-19(15)27(23,24)22-18-17(20)14(4)21-25-18/h7-10,22H,5-6H2,1-4H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Endothelin B receptor 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 receptor type B


(Homo sapiens (Human))		BDBM50291490
PNG
(3-[2-(2,4,6-Trimethyl-phenyl)-vinyl]-thiophene-2-s...)
Show SMILES Cc1noc(NS(=O)(=O)c2sccc2\C=C\c2c(C)cc(C)cc2C)c1Br
Show InChI InChI=1S/C19H19BrN2O3S2/c1-11-9-12(2)16(13(3)10-11)6-5-15-7-8-26-19(15)27(23,24)22-18-17(20)14(4)21-25-18/h5-10,22H,1-4H3/b6-5+
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n/an/a 1.72E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Endothelin B receptor 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 receptor type B


(Homo sapiens (Human))		BDBM50291482
PNG
(2-[2-(2,4,6-Trimethyl-phenyl)-vinyl]-thiophene-3-s...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2\C=C\c2c(C)cc(C)cc2C)c1Br
Show InChI InChI=1S/C19H19BrN2O3S2/c1-11-9-12(2)15(13(3)10-11)5-6-16-17(7-8-26-16)27(23,24)22-19-18(20)14(4)21-25-19/h5-10,22H,1-4H3/b6-5+
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Endothelin B receptor 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 receptor type B


(Homo sapiens (Human))		BDBM50291503
PNG
(2-[2-(2,4,6-Trimethyl-phenyl)-ethyl]-thiophene-3-s...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2CCc2c(C)cc(C)cc2C)c1Br
Show InChI InChI=1S/C19H21BrN2O3S2/c1-11-9-12(2)15(13(3)10-11)5-6-16-17(7-8-26-16)27(23,24)22-19-18(20)14(4)21-25-19/h7-10,22H,5-6H2,1-4H3
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n/an/a 2.09E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Endothelin B receptor 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 receptor type B


(Homo sapiens (Human))		BDBM50291483
PNG
(2-[2-(2,4-Dimethyl-phenyl)-vinyl]-thiophene-3-sulf...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2\C=C\c2ccc(C)cc2C)c1Br
Show InChI InChI=1S/C18H17BrN2O3S2/c1-11-4-5-14(12(2)10-11)6-7-15-16(8-9-25-15)26(22,23)21-18-17(19)13(3)20-24-18/h4-10,21H,1-3H3/b7-6+
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n/an/a 2.97E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Endothelin B receptor 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 receptor type B


(Homo sapiens (Human))		BDBM50291495
PNG
(3-[2-(2,4-Dimethyl-phenyl)-vinyl]-thiophene-2-sulf...)
Show SMILES Cc1noc(NS(=O)(=O)c2sccc2\C=C\c2ccc(C)cc2C)c1Br
Show InChI InChI=1S/C18H17BrN2O3S2/c1-11-4-5-14(12(2)10-11)6-7-15-8-9-25-18(15)26(22,23)21-17-16(19)13(3)20-24-17/h4-10,21H,1-3H3/b7-6+
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n/an/a 2.97E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Endothelin B receptor 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 receptor type B


(Homo sapiens (Human))		BDBM50291484
PNG
(3-[2-(6-Hydroxymethyl-benzo[1,3]dioxol-5-yl)-vinyl...)
Show SMILES Cc1noc(NS(=O)(=O)c2sccc2\C=C\c2cc3OCOc3cc2CO)c1Br
Show InChI InChI=1S/C18H15BrN2O6S2/c1-10-16(19)17(27-20-10)21-29(23,24)18-11(4-5-28-18)2-3-12-6-14-15(26-9-25-14)7-13(12)8-22/h2-7,21-22H,8-9H2,1H3/b3-2+
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n/an/a 3.24E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Endothelin B receptor 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 receptor type B


(Homo sapiens (Human))		BDBM50291488
PNG
(2-[2-(6-Methyl-benzo[1,3]dioxol-5-yl)-vinyl]-thiop...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2\C=C\c2cc3OCOc3cc2C)c1Br
Show InChI InChI=1S/C18H15BrN2O5S2/c1-10-7-13-14(25-9-24-13)8-12(10)3-4-15-16(5-6-27-15)28(22,23)21-18-17(19)11(2)20-26-18/h3-8,21H,9H2,1-2H3/b4-3+
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n/an/a 3.28E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Endothelin B receptor 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 receptor type B


(Homo sapiens (Human))		BDBM50291499
PNG
(2-[2-(2,4-Dimethyl-phenyl)-ethyl]-thiophene-3-sulf...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2CCc2ccc(C)cc2C)c1Br
Show InChI InChI=1S/C18H19BrN2O3S2/c1-11-4-5-14(12(2)10-11)6-7-15-16(8-9-25-15)26(22,23)21-18-17(19)13(3)20-24-18/h4-5,8-10,21H,6-7H2,1-3H3
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n/an/a 3.48E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Endothelin B receptor 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 receptor type B


(Homo sapiens (Human))		BDBM50291493
PNG
(2-(2-p-Tolyl-vinyl)-thiophene-3-sulfonic acid (4-b...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2\C=C\c2ccc(C)cc2)c1Br
Show InChI InChI=1S/C17H15BrN2O3S2/c1-11-3-5-13(6-4-11)7-8-14-15(9-10-24-14)25(21,22)20-17-16(18)12(2)19-23-17/h3-10,20H,1-2H3/b8-7+
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n/an/a 4.13E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Endothelin B receptor 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 receptor type B


(Homo sapiens (Human))		BDBM50291498
PNG
(3-{2-[6-(Tetrahydro-pyran-4-yloxymethyl)-benzo[1,3...)
Show SMILES Cc1noc(NS(=O)(=O)c2sccc2\C=C\c2cc3OCOc3cc2COC2CCOCC2)c1Br
Show InChI InChI=1S/C23H23BrN2O7S2/c1-14-21(24)22(33-25-14)26-35(27,28)23-15(6-9-34-23)2-3-16-10-19-20(32-13-31-19)11-17(16)12-30-18-4-7-29-8-5-18/h2-3,6,9-11,18,26H,4-5,7-8,12-13H2,1H3/b3-2+
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n/an/a 4.14E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Endothelin B receptor 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 receptor type B


(Homo sapiens (Human))		BDBM50291496
PNG
(3-[2-(2,4-Dimethyl-phenyl)-ethyl]-thiophene-2-sulf...)
Show SMILES Cc1noc(NS(=O)(=O)c2sccc2CCc2ccc(C)cc2C)c1Br
Show InChI InChI=1S/C18H19BrN2O3S2/c1-11-4-5-14(12(2)10-11)6-7-15-8-9-25-18(15)26(22,23)21-17-16(19)13(3)20-24-17/h4-5,8-10,21H,6-7H2,1-3H3
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n/an/a 4.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Endothelin B receptor 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 receptor type B


(Homo sapiens (Human))		BDBM50291492
PNG
(2-(2-Benzo[1,3]dioxol-5-yl-vinyl)-thiophene-3-sulf...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2\C=C\c2ccc3OCOc3c2)c1Br
Show InChI InChI=1S/C17H13BrN2O5S2/c1-10-16(18)17(25-19-10)20-27(21,22)15-6-7-26-14(15)5-3-11-2-4-12-13(8-11)24-9-23-12/h2-8,20H,9H2,1H3/b5-3+
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n/an/a 5.25E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Endothelin B receptor 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 receptor type B


(Homo sapiens (Human))		BDBM50291491
PNG
(3-[2-(6-Methyl-benzo[1,3]dioxol-5-yl)-vinyl]-thiop...)
Show SMILES Cc1noc(NS(=O)(=O)c2sccc2\C=C\c2cc3OCOc3cc2C)c1Br
Show InChI InChI=1S/C18H15BrN2O5S2/c1-10-7-14-15(25-9-24-14)8-13(10)4-3-12-5-6-27-18(12)28(22,23)21-17-16(19)11(2)20-26-17/h3-8,21H,9H2,1-2H3/b4-3+
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n/an/a 5.37E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity of cloned human ETB 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 receptor type B


(Homo sapiens (Human))		BDBM50291497
PNG
(3-(2-p-Tolyl-vinyl)-thiophene-2-sulfonic acid (4-b...)
Show SMILES Cc1noc(NS(=O)(=O)c2sccc2\C=C\c2ccc(C)cc2)c1Br
Show InChI InChI=1S/C17H15BrN2O3S2/c1-11-3-5-13(6-4-11)7-8-14-9-10-24-17(14)25(21,22)20-16-15(18)12(2)19-23-16/h3-10,20H,1-2H3/b8-7+
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n/an/a 6.64E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Endothelin B receptor 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 receptor type B


(Homo sapiens (Human))		BDBM50291486
PNG
(2-[2-(6-Methyl-benzo[1,3]dioxol-5-yl)-ethyl]-thiop...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2CCc2cc3OCOc3cc2C)c1Br
Show InChI InChI=1S/C18H17BrN2O5S2/c1-10-7-13-14(25-9-24-13)8-12(10)3-4-15-16(5-6-27-15)28(22,23)21-18-17(19)11(2)20-26-18/h5-8,21H,3-4,9H2,1-2H3
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n/an/a 8.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Endothelin B receptor 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))		BDBM50289945
PNG
(3-(4-Bromo-3-methyl-isoxazol-5-ylsulfamoyl)-thioph...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Oc2ccc3OCOc3c2)c1Br
Show InChI InChI=1S/C16H11BrN2O7S2/c1-8-13(17)15(26-18-8)19-28(21,22)12-4-5-27-14(12)16(20)25-9-2-3-10-11(6-9)24-7-23-10/h2-6,19H,7H2,1H3
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n/an/a 8.90E+3n/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 receptor type B


(Homo sapiens (Human))		BDBM50291485
PNG
(2-(2-Benzo[1,3]dioxol-5-yl-ethyl)-thiophene-3-sulf...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2CCc2ccc3OCOc3c2)c1Br
Show InChI InChI=1S/C17H15BrN2O5S2/c1-10-16(18)17(25-19-10)20-27(21,22)15-6-7-26-14(15)5-3-11-2-4-12-13(8-11)24-9-23-12/h2,4,6-8,20H,3,5,9H2,1H3
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n/an/a 9.24E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Endothelin B receptor 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 receptor type B


(Homo sapiens (Human))		BDBM50291494
PNG
(3-(2-p-Tolyl-ethyl)-thiophene-2-sulfonic acid (4-b...)
Show SMILES Cc1noc(NS(=O)(=O)c2sccc2CCc2ccc(C)cc2)c1Br
Show InChI InChI=1S/C17H17BrN2O3S2/c1-11-3-5-13(6-4-11)7-8-14-9-10-24-17(14)25(21,22)20-16-15(18)12(2)19-23-16/h3-6,9-10,20H,7-8H2,1-2H3
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n/an/a 9.36E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Endothelin B receptor 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 receptor type B


(Homo sapiens (Human))		BDBM50291502
PNG
(3-(2-Benzo[1,3]dioxol-5-yl-vinyl)-thiophene-2-sulf...)
Show SMILES Cc1noc(NS(=O)(=O)c2sccc2\C=C\c2ccc3OCOc3c2)c1Br
Show InChI InChI=1S/C17H13BrN2O5S2/c1-10-15(18)16(25-19-10)20-27(21,22)17-12(6-7-26-17)4-2-11-3-5-13-14(8-11)24-9-23-13/h2-8,20H,9H2,1H3/b4-2+
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n/an/a 9.96E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Endothelin B receptor 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 receptor type B


(Homo sapiens (Human))		BDBM50291501
PNG
(2-(2-p-Tolyl-ethyl)-thiophene-3-sulfonic acid (4-b...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2CCc2ccc(C)cc2)c1Br
Show InChI InChI=1S/C17H17BrN2O3S2/c1-11-3-5-13(6-4-11)7-8-14-15(9-10-24-14)25(21,22)20-17-16(18)12(2)19-23-17/h3-6,9-10,20H,7-8H2,1-2H3
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n/an/a 1.17E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Endothelin B receptor 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 receptor type B


(Homo sapiens (Human))		BDBM50291500
PNG
(3-[2-(6-Methyl-benzo[1,3]dioxol-5-yl)-ethyl]-thiop...)
Show SMILES Cc1noc(NS(=O)(=O)c2sccc2CCc2cc3OCOc3cc2C)c1Br
Show InChI InChI=1S/C18H17BrN2O5S2/c1-10-7-14-15(25-9-24-14)8-13(10)4-3-12-5-6-27-18(12)28(22,23)21-17-16(19)11(2)20-26-17/h5-8,21H,3-4,9H2,1-2H3
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n/an/a 1.25E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Endothelin B receptor 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 receptor type B


(Homo sapiens (Human))		BDBM50291487
PNG
(3-(2-Benzo[1,3]dioxol-5-yl-ethyl)-thiophene-2-sulf...)
Show SMILES Cc1noc(NS(=O)(=O)c2sccc2CCc2ccc3OCOc3c2)c1Br
Show InChI InChI=1S/C17H15BrN2O5S2/c1-10-15(18)16(25-19-10)20-27(21,22)17-12(6-7-26-17)4-2-11-3-5-13-14(8-11)24-9-23-13/h3,5-8,20H,2,4,9H2,1H3
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n/an/a 1.79E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Endothelin B receptor 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))		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
* indicates data uncertainty>20%