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Compile Data Set for Download or QSAR

Found 91 hits with Last Name = 'hunt' and Initial = 'sj'   
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))		BDBM50422267
PNG
(CHEMBL263079)
Show SMILES CCNc1cccc2c(cccc12)S(=O)(=O)Nc1ncc(Br)nc1OC
Show InChI InChI=1S/C17H17BrN4O3S/c1-3-19-13-8-4-7-12-11(13)6-5-9-14(12)26(23,24)22-16-17(25-2)21-15(18)10-20-16/h4-10,19H,3H2,1-2H3,(H,20,22)
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n/an/a 2.5n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50422250
PNG
(CHEMBL268174)
Show SMILES COc1nc(C)cnc1NS(=O)(=O)c1cccc2c(cccc12)N(C)C
Show InChI InChI=1S/C18H20N4O3S/c1-12-11-19-17(18(20-12)25-4)21-26(23,24)16-10-6-7-13-14(16)8-5-9-15(13)22(2)3/h5-11H,1-4H3,(H,19,21)
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n/an/a 7.90n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50422234
PNG
(CHEMBL6412)
Show SMILES COc1nc(Cl)cnc1NS(=O)(=O)c1cccc2c(cccc12)N(C)C
Show InChI InChI=1S/C17H17ClN4O3S/c1-22(2)13-8-4-7-12-11(13)6-5-9-14(12)26(23,24)21-16-17(25-3)20-15(18)10-19-16/h4-10H,1-3H3,(H,19,21)
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n/an/a 10n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50422254
PNG
(CHEMBL6785)
Show SMILES CCN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ncc(Br)nc1OC
Show InChI InChI=1S/C18H19BrN4O3S/c1-4-23(2)14-9-5-8-13-12(14)7-6-10-15(13)27(24,25)22-17-18(26-3)21-16(19)11-20-17/h5-11H,4H2,1-3H3,(H,20,22)
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n/an/a 13n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I] ET-1 to human Endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50422257
PNG
(CHEMBL6555)
Show SMILES CNc1cccc2c(cccc12)S(=O)(=O)Nc1ncc(Br)nc1OC
Show InChI InChI=1S/C16H15BrN4O3S/c1-18-12-7-3-6-11-10(12)5-4-8-13(11)25(22,23)21-15-16(24-2)20-14(17)9-19-15/h3-9,18H,1-2H3,(H,19,21)
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n/an/a 16n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50034435
PNG
(5-Dimethylamino-naphthalene-1-sulfonic acid (3,4-d...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C17H19N3O3S/c1-11-12(2)18-23-17(11)19-24(21,22)16-10-6-7-13-14(16)8-5-9-15(13)20(3)4/h5-10,19H,1-4H3
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n/an/a 50n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50422248
PNG
(CHEMBL6800)
Show SMILES COc1nc(Br)cnc1NS(=O)(=O)c1cccc2c(cccc12)N(C)C
Show InChI InChI=1S/C17H17BrN4O3S/c1-22(2)13-8-4-7-12-11(13)6-5-9-14(12)26(23,24)21-16-17(25-3)20-15(18)10-19-16/h4-10H,1-3H3,(H,19,21)
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n/an/a 63n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50422244
PNG
(CHEMBL268339)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1cnc(Br)cn1
Show InChI InChI=1S/C16H15BrN4O2S/c1-21(2)13-7-3-6-12-11(13)5-4-8-14(12)24(22,23)20-16-10-18-15(17)9-19-16/h3-10H,1-2H3,(H,19,20)
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n/an/a 126n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50422246
PNG
(CHEMBL6553)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1cnc(Cl)cn1
Show InChI InChI=1S/C16H15ClN4O2S/c1-21(2)13-7-3-6-12-11(13)5-4-8-14(12)24(22,23)20-16-10-18-15(17)9-19-16/h3-10H,1-2H3,(H,19,20)
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n/an/a 158n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50422264
PNG
(CHEMBL6761)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(Cl)nn1
Show InChI InChI=1S/C16H15ClN4O2S/c1-21(2)13-7-3-6-12-11(13)5-4-8-14(12)24(22,23)20-16-10-9-15(17)18-19-16/h3-10H,1-2H3,(H,19,20)
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ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50422243
PNG
(CHEMBL6297)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(Br)nn1
Show InChI InChI=1S/C16H15BrN4O2S/c1-21(2)13-7-3-6-12-11(13)5-4-8-14(12)24(22,23)20-16-10-9-15(17)18-19-16/h3-10H,1-2H3,(H,19,20)
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n/an/a 251n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50422249
PNG
(CHEMBL266277)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(Br)nc1
Show InChI InChI=1S/C17H16BrN3O2S/c1-21(2)15-7-3-6-14-13(15)5-4-8-16(14)24(22,23)20-12-9-10-17(18)19-11-12/h3-11,20H,1-2H3
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n/an/a 251n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50422233
PNG
(CHEMBL6624)
Show SMILES COc1ccc(NS(=O)(=O)c2cccc3c(cccc23)N(C)C)nn1
Show InChI InChI=1S/C17H18N4O3S/c1-21(2)14-8-4-7-13-12(14)6-5-9-15(13)25(22,23)20-16-10-11-17(24-3)19-18-16/h4-11H,1-3H3,(H,18,20)
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n/an/a 316n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50422265
PNG
(CHEMBL268116)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ncc(Br)cc1C
Show InChI InChI=1S/C18H18BrN3O2S/c1-12-10-13(19)11-20-18(12)21-25(23,24)17-9-5-6-14-15(17)7-4-8-16(14)22(2)3/h4-11H,1-3H3,(H,20,21)
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n/an/a 316n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50422241
PNG
(CHEMBL415106)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1nnc(Cl)cc1C
Show InChI InChI=1S/C17H17ClN4O2S/c1-11-10-16(18)19-20-17(11)21-25(23,24)15-9-5-6-12-13(15)7-4-8-14(12)22(2)3/h4-10H,1-3H3,(H,20,21)
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n/an/a 398n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50422245
PNG
(CHEMBL6588)
Show SMILES CCOc1nc(Br)cnc1NS(=O)(=O)c1cccc2c(cccc12)N(C)C
Show InChI InChI=1S/C18H19BrN4O3S/c1-4-26-18-17(20-11-16(19)21-18)22-27(24,25)15-10-6-7-12-13(15)8-5-9-14(12)23(2)3/h5-11H,4H2,1-3H3,(H,20,22)
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n/an/a 501n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50422266
PNG
(CHEMBL7019)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1cnc(Br)nc1
Show InChI InChI=1S/C16H15BrN4O2S/c1-21(2)14-7-3-6-13-12(14)5-4-8-15(13)24(22,23)20-11-9-18-16(17)19-10-11/h3-10,20H,1-2H3
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n/an/a 631n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50422263
PNG
(CHEMBL6382)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ncc(Br)nc1C
Show InChI InChI=1S/C17H17BrN4O2S/c1-11-17(19-10-16(18)20-11)21-25(23,24)15-9-5-6-12-13(15)7-4-8-14(12)22(2)3/h4-10H,1-3H3,(H,19,21)
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n/an/a 631n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50422258
PNG
(CHEMBL6399)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1cnccn1
Show InChI InChI=1S/C16H16N4O2S/c1-20(2)14-7-3-6-13-12(14)5-4-8-15(13)23(21,22)19-16-11-17-9-10-18-16/h3-11H,1-2H3,(H,18,19)
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n/an/a 1.00E+3n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50422253
PNG
(CHEMBL6583)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1cnc(C)cn1
Show InChI InChI=1S/C17H18N4O2S/c1-12-10-19-17(11-18-12)20-24(22,23)16-9-5-6-13-14(16)7-4-8-15(13)21(2)3/h4-11H,1-3H3,(H,19,20)
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n/an/a 1.26E+3n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50422261
PNG
(CHEMBL415292)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(Cl)nc1
Show InChI InChI=1S/C17H16ClN3O2S/c1-21(2)15-7-3-6-14-13(15)5-4-8-16(14)24(22,23)20-12-9-10-17(18)19-11-12/h3-11,20H,1-2H3
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n/an/a 1.26E+3n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50422240
PNG
(CHEMBL6411)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(Br)cn1
Show InChI InChI=1S/C17H16BrN3O2S/c1-21(2)15-7-3-6-14-13(15)5-4-8-16(14)24(22,23)20-17-10-9-12(18)11-19-17/h3-11H,1-2H3,(H,19,20)
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n/an/a 1.59E+3n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50422236
PNG
(CHEMBL6463)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(C)cn1
Show InChI InChI=1S/C18H19N3O2S/c1-13-10-11-18(19-12-13)20-24(22,23)17-9-5-6-14-15(17)7-4-8-16(14)21(2)3/h4-12H,1-3H3,(H,19,20)
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n/an/a 1.59E+3n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50422262
PNG
(CHEMBL6433)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ncc(Cl)cn1
Show InChI InChI=1S/C16H15ClN4O2S/c1-21(2)14-7-3-6-13-12(14)5-4-8-15(13)24(22,23)20-16-18-9-11(17)10-19-16/h3-10H,1-2H3,(H,18,19,20)
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n/an/a 1.59E+3n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50422256
PNG
(CHEMBL268387)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(C)nn1
Show InChI InChI=1S/C17H18N4O2S/c1-12-10-11-17(19-18-12)20-24(22,23)16-9-5-6-13-14(16)7-4-8-15(13)21(2)3/h4-11H,1-3H3,(H,19,20)
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n/an/a 1.59E+3n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50422255
PNG
(CHEMBL6630)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ncc(Br)cn1
Show InChI InChI=1S/C16H15BrN4O2S/c1-21(2)14-7-3-6-13-12(14)5-4-8-15(13)24(22,23)20-16-18-9-11(17)10-19-16/h3-10H,1-2H3,(H,18,19,20)
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n/an/a 2.00E+3n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50422238
PNG
(CHEMBL6576)
Show SMILES COc1nc(Br)cnc1NS(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C15H12BrN3O3S/c1-22-15-14(17-9-13(16)18-15)19-23(20,21)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,17,19)
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n/an/a 2.00E+3n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50422237
PNG
(CHEMBL266315)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C17H16ClN3O2S/c1-21(2)15-7-3-6-14-13(15)5-4-8-16(14)24(22,23)20-17-10-9-12(18)11-19-17/h3-11H,1-2H3,(H,19,20)
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n/an/a 2.00E+3n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50422247
PNG
(CHEMBL6543)
Show SMILES CCc1nc(Br)cnc1NS(=O)(=O)c1cccc2c(cccc12)N(C)C
Show InChI InChI=1S/C18H19BrN4O2S/c1-4-14-18(20-11-17(19)21-14)22-26(24,25)16-10-6-7-12-13(16)8-5-9-15(12)23(2)3/h5-11H,4H2,1-3H3,(H,20,22)
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n/an/a 2.51E+3n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50422242
PNG
(CHEMBL6400)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C18H17BrN2O2S/c1-21(2)17-7-3-6-16-15(17)5-4-8-18(16)24(22,23)20-14-11-9-13(19)10-12-14/h3-12,20H,1-2H3
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n/an/a 3.16E+3n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50422232
PNG
(CHEMBL269237)
Show SMILES CCOc1ccc(NS(=O)(=O)c2cccc3c(cccc23)N(C)C)nn1
Show InChI InChI=1S/C18H20N4O3S/c1-4-25-18-12-11-17(19-20-18)21-26(23,24)16-10-6-7-13-14(16)8-5-9-15(13)22(2)3/h5-12H,4H2,1-3H3,(H,19,21)
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n/an/a 3.98E+3n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50422251
PNG
(CHEMBL6660)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1cc(C)c(Cl)nn1
Show InChI InChI=1S/C17H17ClN4O2S/c1-11-10-16(19-20-17(11)18)21-25(23,24)15-9-5-6-12-13(15)7-4-8-14(12)22(2)3/h4-10H,1-3H3,(H,19,21)
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n/an/a 5.01E+3n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50422259
PNG
(CHEMBL266684)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(I)cn1
Show InChI InChI=1S/C17H16IN3O2S/c1-21(2)15-7-3-6-14-13(15)5-4-8-16(14)24(22,23)20-17-10-9-12(18)11-19-17/h3-11H,1-2H3,(H,19,20)
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n/an/a 5.01E+3n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50422235
PNG
(CHEMBL6647)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ncc(Br)[nH]c1=O
Show InChI InChI=1S/C16H15BrN4O3S/c1-21(2)12-7-3-6-11-10(12)5-4-8-13(11)25(23,24)20-15-16(22)19-14(17)9-18-15/h3-9H,1-2H3,(H,18,20)(H,19,22)
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n/an/a 5.01E+3n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50422239
PNG
(CHEMBL6468)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C16H16N4O2S/c1-20(2)14-8-3-7-13-12(14)6-4-9-15(13)23(21,22)19-16-17-10-5-11-18-16/h3-11H,1-2H3,(H,17,18,19)
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n/an/a 6.31E+3n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50422252
PNG
(CHEMBL6778)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C18H17ClN2O2S/c1-21(2)17-7-3-6-16-15(17)5-4-8-18(16)24(22,23)20-14-11-9-13(19)10-12-14/h3-12,20H,1-2H3
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n/an/a 7.94E+3n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50422260
PNG
(CHEMBL6566)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(Br)c(C)n1
Show InChI InChI=1S/C18H18BrN3O2S/c1-12-15(19)10-11-18(20-12)21-25(23,24)17-9-5-6-13-14(17)7-4-8-16(13)22(2)3/h4-11H,1-3H3,(H,20,21)
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n/an/a 1.00E+4n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor

J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))		BDBM50439402
PNG
(CHEMBL2420537)
Show SMILES CN(C)S(=O)(=O)c1cc(NC(=O)Cc2ccccc2Br)ccc1C
Show InChI InChI=1S/C17H19BrN2O3S/c1-12-8-9-14(11-16(12)24(22,23)20(2)3)19-17(21)10-13-6-4-5-7-15(13)18/h4-9,11H,10H2,1-3H3,(H,19,21)
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n/an/an/an/a 1.60E+3n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Activation of GIRK1/4 (unknown origin) by cell-based thallium flux assay

Bioorg Med Chem Lett 23: 5195-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.002
BindingDB Entry DOI: 10.7270/Q28K7BG1
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))		BDBM50439403
PNG
(CHEMBL1558022)
Show SMILES CN(C)S(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1C
Show InChI InChI=1S/C17H19ClN2O3S/c1-12-8-9-14(11-16(12)24(22,23)20(2)3)19-17(21)10-13-6-4-5-7-15(13)18/h4-9,11H,10H2,1-3H3,(H,19,21)
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n/an/an/an/a 1.10E+3n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Activation of GIRK1/4 (unknown origin) by cell-based thallium flux assay

Bioorg Med Chem Lett 23: 5195-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.002
BindingDB Entry DOI: 10.7270/Q28K7BG1
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))		BDBM50437983
PNG
(CHEMBL2409106)
Show SMILES Cc1cc(NC(=O)Nc2ccc(F)c(F)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C17H14F2N4O/c1-11-9-16(23(22-11)13-5-3-2-4-6-13)21-17(24)20-12-7-8-14(18)15(19)10-12/h2-10H,1H3,(H2,20,21,24)
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n/an/an/an/a 1.80E+3n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Activation of GIRK1/4 (unknown origin) by cell-based thallium flux assay

Bioorg Med Chem Lett 23: 5195-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.002
BindingDB Entry DOI: 10.7270/Q28K7BG1
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))		BDBM50115223
PNG
(1-(5-Methyl-2-phenyl-2H-pyrazol-3-yl)-3-phenyl-ure...)
Show SMILES Cc1cc(NC(=O)Nc2ccccc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C17H16N4O/c1-13-12-16(21(20-13)15-10-6-3-7-11-15)19-17(22)18-14-8-4-2-5-9-14/h2-12H,1H3,(H2,18,19,22)
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n/an/an/an/a 690n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Activation of GIRK1/4 (unknown origin) by cell-based thallium flux assay

Bioorg Med Chem Lett 23: 5195-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.002
BindingDB Entry DOI: 10.7270/Q28K7BG1
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM50439404
PNG
(CHEMBL2420539)
Show SMILES CN(C)S(=O)(=O)c1cc(NC(=O)Cc2ccc(F)cc2)ccc1C
Show InChI InChI=1S/C17H19FN2O3S/c1-12-4-9-15(11-16(12)24(22,23)20(2)3)19-17(21)10-13-5-7-14(18)8-6-13/h4-9,11H,10H2,1-3H3,(H,19,21)
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n/an/an/an/a 3.60E+3n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Activation of GIRK1/2 (unknown origin) by cell-based thallium flux assay

Bioorg Med Chem Lett 23: 5195-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.002
BindingDB Entry DOI: 10.7270/Q28K7BG1
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM95731
PNG
(2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]...)
Show SMILES CN(C)S(=O)(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C16H17ClN2O3S/c1-19(2)23(21,22)15-5-3-4-14(11-15)18-16(20)10-12-6-8-13(17)9-7-12/h3-9,11H,10H2,1-2H3,(H,18,20)
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n/an/an/an/a 2.30E+3n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Activation of GIRK1/2 (unknown origin) by cell-based thallium flux assay

Bioorg Med Chem Lett 23: 5195-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.002
BindingDB Entry DOI: 10.7270/Q28K7BG1
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM50439405
PNG
(CHEMBL2420538)
Show SMILES CN(C)S(=O)(=O)c1cccc(NC(=O)Cc2ccccc2Cl)c1
Show InChI InChI=1S/C16H17ClN2O3S/c1-19(2)23(21,22)14-8-5-7-13(11-14)18-16(20)10-12-6-3-4-9-15(12)17/h3-9,11H,10H2,1-2H3,(H,18,20)
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n/an/an/an/a 3.30E+3n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Activation of GIRK1/2 (unknown origin) by cell-based thallium flux assay

Bioorg Med Chem Lett 23: 5195-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.002
BindingDB Entry DOI: 10.7270/Q28K7BG1
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM50439402
PNG
(CHEMBL2420537)
Show SMILES CN(C)S(=O)(=O)c1cc(NC(=O)Cc2ccccc2Br)ccc1C
Show InChI InChI=1S/C17H19BrN2O3S/c1-12-8-9-14(11-16(12)24(22,23)20(2)3)19-17(21)10-13-6-4-5-7-15(13)18/h4-9,11H,10H2,1-3H3,(H,19,21)
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n/an/an/an/a 1.40E+3n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Activation of GIRK1/2 (unknown origin) by cell-based thallium flux assay

Bioorg Med Chem Lett 23: 5195-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.002
BindingDB Entry DOI: 10.7270/Q28K7BG1
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM50439403
PNG
(CHEMBL1558022)
Show SMILES CN(C)S(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1C
Show InChI InChI=1S/C17H19ClN2O3S/c1-12-8-9-14(11-16(12)24(22,23)20(2)3)19-17(21)10-13-6-4-5-7-15(13)18/h4-9,11H,10H2,1-3H3,(H,19,21)
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n/an/an/an/a 1.10E+3n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Activation of GIRK1/2 (unknown origin) by cell-based thallium flux assay

Bioorg Med Chem Lett 23: 5195-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.002
BindingDB Entry DOI: 10.7270/Q28K7BG1
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM50437983
PNG
(CHEMBL2409106)
Show SMILES Cc1cc(NC(=O)Nc2ccc(F)c(F)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C17H14F2N4O/c1-11-9-16(23(22-11)13-5-3-2-4-6-13)21-17(24)20-12-7-8-14(18)15(19)10-12/h2-10H,1H3,(H2,20,21,24)
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n/an/an/an/a 160n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Activation of GIRK1/2 (unknown origin) by cell-based thallium flux assay

Bioorg Med Chem Lett 23: 5195-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.002
BindingDB Entry DOI: 10.7270/Q28K7BG1
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM50115223
PNG
(1-(5-Methyl-2-phenyl-2H-pyrazol-3-yl)-3-phenyl-ure...)
Show SMILES Cc1cc(NC(=O)Nc2ccccc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C17H16N4O/c1-13-12-16(21(20-13)15-10-6-3-7-11-15)19-17(22)18-14-8-4-2-5-9-14/h2-12H,1H3,(H2,18,19,22)
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n/an/an/an/a 1.40E+3n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Activation of GIRK1/2 (unknown origin) by cell-based thallium flux assay

Bioorg Med Chem Lett 23: 5195-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.002
BindingDB Entry DOI: 10.7270/Q28K7BG1
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))		BDBM50241582
PNG
((S)-7-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxyme...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Activation of recombinant human GIRK1/4 expressed in Xenopus oocytes by two-electrode voltage clamp method

Bioorg Med Chem Lett 23: 5195-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.002
BindingDB Entry DOI: 10.7270/Q28K7BG1
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM50241582
PNG
((S)-7-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxyme...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Activation of recombinant human GIRK1/2 expressed in Xenopus oocytes by two-electrode voltage clamp method

Bioorg Med Chem Lett 23: 5195-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.002
BindingDB Entry DOI: 10.7270/Q28K7BG1
More data for this
Ligand-Target Pair
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