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Articleid 50029979

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))		BDBM50289940
PNG
(3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiop...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Oc2ccc3OCOc3c2)c1Cl
Show InChI InChI=1S/C16H11ClN2O7S2/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 8.30n/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
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 8.90n/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))		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
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50289937
PNG
(3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiop...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccccc2)c1Cl
Show InChI InChI=1S/C15H12ClN3O4S2/c1-9-12(16)15(23-18-9)19-25(21,22)11-7-8-24-13(11)14(20)17-10-5-3-2-4-6-10/h2-8,19H,1H3,(H,17,20)
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n/an/a 148n/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))		BDBM50058073
PNG
(3-(4-Bromo-3-methyl-isoxazol-5-ylsulfamoyl)-thioph...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccccc2)c1Br
Show InChI InChI=1S/C15H12BrN3O4S2/c1-9-12(16)15(23-18-9)19-25(21,22)11-7-8-24-13(11)14(20)17-10-5-3-2-4-6-10/h2-8,19H,1H3,(H,17,20)
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n/an/a 166n/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))		BDBM50289941
PNG
(3-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-thiophene-...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Oc2ccc(C)cc2C)c1C
Show InChI InChI=1S/C18H18N2O5S2/c1-10-5-6-14(11(2)9-10)24-18(21)16-15(7-8-26-16)27(22,23)20-17-12(3)13(4)19-25-17/h5-9,20H,1-4H3
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n/an/a 270n/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
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50289944
PNG
(3-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-thiophene-...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccccc2)c1C
Show InChI InChI=1S/C16H15N3O4S2/c1-10-11(2)18-23-16(10)19-25(21,22)13-8-9-24-14(13)15(20)17-12-6-4-3-5-7-12/h3-9,19H,1-2H3,(H,17,20)
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n/an/a 550n/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))		BDBM50288279
PNG
(2-Phenyl-thiophene-3-sulfonic acid (4-bromo-3-meth...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2-c2ccccc2)c1Br
Show InChI InChI=1S/C14H11BrN2O3S2/c1-9-12(15)14(20-16-9)17-22(18,19)11-7-8-21-13(11)10-5-3-2-4-6-10/h2-8,17H,1H3
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n/an/a 603n/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))		BDBM50289946
PNG
(3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiop...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Oc2ccc(C)cc2C)c1Cl
Show InChI InChI=1S/C17H15ClN2O5S2/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 650n/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))		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
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50289933
PNG
(3-(4-Bromo-3-methyl-isoxazol-5-ylsulfamoyl)-thioph...)
Show SMILES COC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Br
Show InChI InChI=1S/C10H9BrN2O5S2/c1-5-7(11)9(18-12-5)13-20(15,16)6-3-4-19-8(6)10(14)17-2/h3-4,13H,1-2H3
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n/an/a 740n/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))		BDBM50289942
PNG
(3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiop...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(O)=O)c1Cl
Show InChI InChI=1S/C9H7ClN2O5S2/c1-4-6(10)8(17-11-4)12-19(15,16)5-2-3-18-7(5)9(13)14/h2-3,12H,1H3,(H,13,14)
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n/an/a 1.06E+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))		BDBM50289934
PNG
(3-(4-Bromo-3-methyl-isoxazol-5-ylsulfamoyl)-thioph...)
Show SMILES COC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl
Show InChI InChI=1S/C10H9ClN2O5S2/c1-5-7(11)9(18-12-5)13-20(15,16)6-3-4-19-8(6)10(14)17-2/h3-4,13H,1-2H3
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n/an/a 1.09E+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))		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))		BDBM50289939
PNG
(3-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-thiophene-...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Oc2ccc(C)cc2)c1C
Show InChI InChI=1S/C17H16N2O5S2/c1-10-4-6-13(7-5-10)23-17(20)15-14(8-9-25-15)26(21,22)19-16-11(2)12(3)18-24-16/h4-9,19H,1-3H3
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n/an/a 2.52E+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))		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))		BDBM50289932
PNG
(3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiop...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Oc2ccc(C)cc2)c1Cl
Show InChI InChI=1S/C16H13ClN2O5S2/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 3.22E+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))		BDBM50289938
PNG
(3-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-thiophene-...)
Show SMILES COC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C11H12N2O5S2/c1-6-7(2)12-18-10(6)13-20(15,16)8-4-5-19-9(8)11(14)17-3/h4-5,13H,1-3H3
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n/an/a 3.47E+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))		BDBM50289926
PNG
(3-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-thiophene-...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Oc2ccccc2)c1C
Show InChI InChI=1S/C16H14N2O5S2/c1-10-11(2)17-23-15(10)18-25(20,21)13-8-9-24-14(13)16(19)22-12-6-4-3-5-7-12/h3-9,18H,1-2H3
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n/an/a 4.12E+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))		BDBM50289931
PNG
(3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiop...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Oc2ccccc2)c1Cl
Show InChI InChI=1S/C15H11ClN2O5S2/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 4.40E+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 receptor type B


(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 5.74E+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
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50289930
PNG
(3-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-thiophene-...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(O)=O)c1C
Show InChI InChI=1S/C10H10N2O5S2/c1-5-6(2)11-17-9(5)12-19(15,16)7-3-4-18-8(7)10(13)14/h3-4,12H,1-2H3,(H,13,14)
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n/an/a 6.06E+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))		BDBM50289936
PNG
(3-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-thiophene-...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Oc2ccc3OCOc3c2)c1C
Show InChI InChI=1S/C17H14N2O7S2/c1-9-10(2)18-26-16(9)19-28(21,22)14-5-6-27-15(14)17(20)25-11-3-4-12-13(7-11)24-8-23-12/h3-7,19H,8H2,1-2H3
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n/an/a 6.14E+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 receptor type B


(Homo sapiens (Human))		BDBM50289940
PNG
(3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiop...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Oc2ccc3OCOc3c2)c1Cl
Show InChI InChI=1S/C16H11ClN2O7S2/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 7.94E+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
Endothelin receptor type B


(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
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50289927
PNG
(3-(4-Bromo-3-methyl-isoxazol-5-ylsulfamoyl)-thioph...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(O)=O)c1Br
Show InChI InChI=1S/C9H7BrN2O5S2/c1-4-6(10)8(17-11-4)12-19(15,16)5-2-3-18-7(5)9(13)14/h2-3,12H,1H3,(H,13,14)
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n/an/a 1.02E+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 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 receptor type B


(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
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50289936
PNG
(3-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-thiophene-...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Oc2ccc3OCOc3c2)c1C
Show InChI InChI=1S/C17H14N2O7S2/c1-9-10(2)18-26-16(9)19-28(21,22)14-5-6-27-15(14)17(20)25-11-3-4-12-13(7-11)24-8-23-12/h3-7,19H,8H2,1-2H3
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n/an/a 4.87E+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
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50289946
PNG
(3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiop...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Oc2ccc(C)cc2C)c1Cl
Show InChI InChI=1S/C17H15ClN2O5S2/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 6.84E+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
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50058073
PNG
(3-(4-Bromo-3-methyl-isoxazol-5-ylsulfamoyl)-thioph...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccccc2)c1Br
Show InChI InChI=1S/C15H12BrN3O4S2/c1-9-12(16)15(23-18-9)19-25(21,22)11-7-8-24-13(11)14(20)17-10-5-3-2-4-6-10/h2-8,19H,1H3,(H,17,20)
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n/an/a 7.76E+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
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50289939
PNG
(3-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-thiophene-...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Oc2ccc(C)cc2)c1C
Show InChI InChI=1S/C17H16N2O5S2/c1-10-4-6-13(7-5-10)23-17(20)15-14(8-9-25-15)26(21,22)19-16-11(2)12(3)18-24-16/h4-9,19H,1-3H3
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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 receptor type B


(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 receptor type B


(Homo sapiens (Human))		BDBM50289930
PNG
(3-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-thiophene-...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(O)=O)c1C
Show InChI InChI=1S/C10H10N2O5S2/c1-5-6(2)11-17-9(5)12-19(15,16)7-3-4-18-8(7)10(13)14/h3-4,12H,1-2H3,(H,13,14)
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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 receptor type B


(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 receptor type B


(Homo sapiens (Human))		BDBM50289938
PNG
(3-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-thiophene-...)
Show SMILES COC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C11H12N2O5S2/c1-6-7(2)12-18-10(6)13-20(15,16)8-4-5-19-9(8)11(14)17-3/h4-5,13H,1-3H3
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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 receptor type B


(Homo sapiens (Human))		BDBM50289937
PNG
(3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiop...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccccc2)c1Cl
Show InChI InChI=1S/C15H12ClN3O4S2/c1-9-12(16)15(23-18-9)19-25(21,22)11-7-8-24-13(11)14(20)17-10-5-3-2-4-6-10/h2-8,19H,1H3,(H,17,20)
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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 receptor type B


(Homo sapiens (Human))		BDBM50289933
PNG
(3-(4-Bromo-3-methyl-isoxazol-5-ylsulfamoyl)-thioph...)
Show SMILES COC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Br
Show InChI InChI=1S/C10H9BrN2O5S2/c1-5-7(11)9(18-12-5)13-20(15,16)6-3-4-19-8(6)10(14)17-2/h3-4,13H,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 receptor type B


(Homo sapiens (Human))		BDBM50289934
PNG
(3-(4-Bromo-3-methyl-isoxazol-5-ylsulfamoyl)-thioph...)
Show SMILES COC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl
Show InChI InChI=1S/C10H9ClN2O5S2/c1-5-7(11)9(18-12-5)13-20(15,16)6-3-4-19-8(6)10(14)17-2/h3-4,13H,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 receptor type B


(Homo sapiens (Human))		BDBM50289926
PNG
(3-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-thiophene-...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Oc2ccccc2)c1C
Show InChI InChI=1S/C16H14N2O5S2/c1-10-11(2)17-23-15(10)18-25(20,21)13-8-9-24-14(13)16(19)22-12-6-4-3-5-7-12/h3-9,18H,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 receptor type B


(Homo sapiens (Human))		BDBM50289944
PNG
(3-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-thiophene-...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccccc2)c1C
Show InChI InChI=1S/C16H15N3O4S2/c1-10-11(2)18-23-16(10)19-25(21,22)13-8-9-24-14(13)15(20)17-12-6-4-3-5-7-12/h3-9,19H,1-2H3,(H,17,20)
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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 receptor type B


(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
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50289942
PNG
(3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiop...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(O)=O)c1Cl
Show InChI InChI=1S/C9H7ClN2O5S2/c1-4-6(10)8(17-11-4)12-19(15,16)5-2-3-18-7(5)9(13)14/h2-3,12H,1H3,(H,13,14)
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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 receptor type B


(Homo sapiens (Human))		BDBM50289931
PNG
(3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiop...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Oc2ccccc2)c1Cl
Show InChI InChI=1S/C15H11ClN2O5S2/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 receptor type B


(Homo sapiens (Human))		BDBM50289927
PNG
(3-(4-Bromo-3-methyl-isoxazol-5-ylsulfamoyl)-thioph...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(O)=O)c1Br
Show InChI InChI=1S/C9H7BrN2O5S2/c1-4-6(10)8(17-11-4)12-19(15,16)5-2-3-18-7(5)9(13)14/h2-3,12H,1H3,(H,13,14)
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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 receptor type B


(Homo sapiens (Human))		BDBM50289932
PNG
(3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiop...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Oc2ccc(C)cc2)c1Cl
Show InChI InChI=1S/C16H13ClN2O5S2/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>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 receptor type B


(Homo sapiens (Human))		BDBM50289941
PNG
(3-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-thiophene-...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Oc2ccc(C)cc2C)c1C
Show InChI InChI=1S/C18H18N2O5S2/c1-10-5-6-14(11(2)9-10)24-18(21)16-15(7-8-26-16)27(22,23)20-17-12(3)13(4)19-25-17/h5-9,20H,1-4H3
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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
* indicates data uncertainty>20%