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PubMed code 8308857

Compile data set for download or QSAR
Found 19 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))
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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55n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards ET1 receptor was determined in A10 cells


J Med Chem 37: 329-31 (1994)


Article DOI: 10.1021/jm00029a001
BindingDB Entry DOI: 10.7270/Q24M93KB
More data for this
Ligand-Target Pair
EDNRA


(RAT)
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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>2.00E+5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Selectivity for the ET-A receptor over ETB receptor was observed in rat cerebellar membranes


J Med Chem 37: 329-31 (1994)


Article DOI: 10.1021/jm00029a001
BindingDB Entry DOI: 10.7270/Q24M93KB
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 150n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]-ET1 binding to vascular smooth muscle (vsm)- A10 cells


J Med Chem 37: 329-31 (1994)


Article DOI: 10.1021/jm00029a001
BindingDB Entry DOI: 10.7270/Q24M93KB
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 570n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of ET-1 induced increase in intracellular Ca+2 in vsm-A10 cells


J Med Chem 37: 329-31 (1994)


Article DOI: 10.1021/jm00029a001
BindingDB Entry DOI: 10.7270/Q24M93KB
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50034452
PNG
(4-Amino-N-(3,4-dimethyl-isoxazol-5-yl)-benzenesulf...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C
Show InChI InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3
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n/an/a 780n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]-ET1 binding to vascular smooth muscle (vsm)- A10 cells


J Med Chem 37: 329-31 (1994)


Article DOI: 10.1021/jm00029a001
BindingDB Entry DOI: 10.7270/Q24M93KB
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50034465
PNG
(CHEMBL30199 | N-[5-(3,4-Dimethyl-isoxazol-5-ylsulf...)
Show SMILES CC(=O)Nc1cccc2c(cccc12)S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C17H17N3O4S/c1-10-11(2)19-24-17(10)20-25(22,23)16-9-5-6-13-14(16)7-4-8-15(13)18-12(3)21/h4-9,20H,1-3H3,(H,18,21)
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n/an/a 880n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]-ET1 binding to vascular smooth muscle (vsm)- A10 cells


J Med Chem 37: 329-31 (1994)


Article DOI: 10.1021/jm00029a001
BindingDB Entry DOI: 10.7270/Q24M93KB
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50034437
PNG
(5-Dimethylaminomethyl-naphthalene-1-sulfonic acid ...)
Show SMILES CN(C)Cc1cccc2c(cccc12)S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C18H21N3O3S/c1-12-13(2)19-24-18(12)20-25(22,23)17-10-6-8-15-14(11-21(3)4)7-5-9-16(15)17/h5-10,20H,11H2,1-4H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]-ET1 binding to vascular smooth muscle (vsm)- A10 cells


J Med Chem 37: 329-31 (1994)


Article DOI: 10.1021/jm00029a001
BindingDB Entry DOI: 10.7270/Q24M93KB
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50034450
PNG
(5-Amino-naphthalene-1-sulfonic acid (3,4-dimethyl-...)
Show SMILES Cc1noc(NS(=O)(=O)c2cccc3c(N)cccc23)c1C
Show InChI InChI=1S/C15H15N3O3S/c1-9-10(2)17-21-15(9)18-22(19,20)14-8-4-5-11-12(14)6-3-7-13(11)16/h3-8,18H,16H2,1-2H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]-ET1 binding to vascular smooth muscle (vsm)- A10 cells


J Med Chem 37: 329-31 (1994)


Article DOI: 10.1021/jm00029a001
BindingDB Entry DOI: 10.7270/Q24M93KB
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50034410
PNG
(5-Isopropenyl-naphthalene-1-sulfonic acid (3,4-dim...)
Show SMILES CC(=C)c1cccc2c(cccc12)S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C18H18N2O3S/c1-11(2)14-7-5-9-16-15(14)8-6-10-17(16)24(21,22)20-18-12(3)13(4)19-23-18/h5-10,20H,1H2,2-4H3
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n/an/a 5.70E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]-ET1 binding to vascular smooth muscle (vsm)- A10 cells


J Med Chem 37: 329-31 (1994)


Article DOI: 10.1021/jm00029a001
BindingDB Entry DOI: 10.7270/Q24M93KB
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50034462
PNG
(5-Methoxy-naphthalene-1-sulfonic acid (3,4-dimethy...)
Show SMILES COc1cccc2c(cccc12)S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C16H16N2O4S/c1-10-11(2)17-22-16(10)18-23(19,20)15-9-5-6-12-13(15)7-4-8-14(12)21-3/h4-9,18H,1-3H3
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n/an/a 6.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]-ET1 binding to vascular smooth muscle (vsm)- A10 cells


J Med Chem 37: 329-31 (1994)


Article DOI: 10.1021/jm00029a001
BindingDB Entry DOI: 10.7270/Q24M93KB
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50034418
PNG
(5-Hydroxy-naphthalene-1-sulfonic acid (3,4-dimethy...)
Show SMILES Cc1noc(NS(=O)(=O)c2cccc3c(O)cccc23)c1C
Show InChI InChI=1S/C15H14N2O4S/c1-9-10(2)16-21-15(9)17-22(19,20)14-8-4-5-11-12(14)6-3-7-13(11)18/h3-8,17-18H,1-2H3
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n/an/a 7.80E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of ET1 induced increase in intracellular Ca+2 in rabbit carotid artery rings


J Med Chem 37: 329-31 (1994)


Article DOI: 10.1021/jm00029a001
BindingDB Entry DOI: 10.7270/Q24M93KB
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50034461
PNG
(CHEMBL282961 | N-(3,4-Dimethyl-isoxazol-5-yl)-4-hy...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccc(O)cc2)c1C
Show InChI InChI=1S/C11H12N2O4S/c1-7-8(2)12-17-11(7)13-18(15,16)10-5-3-9(14)4-6-10/h3-6,13-14H,1-2H3
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n/an/a 9.20E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]-ET1 binding to vascular smooth muscle (vsm)- A10 cells


J Med Chem 37: 329-31 (1994)


Article DOI: 10.1021/jm00029a001
BindingDB Entry DOI: 10.7270/Q24M93KB
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50034468
PNG
(4-Benzylamino-N-(3,4-dimethyl-isoxazol-5-yl)-benze...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccc(NCc3ccccc3)cc2)c1C
Show InChI InChI=1S/C18H19N3O3S/c1-13-14(2)20-24-18(13)21-25(22,23)17-10-8-16(9-11-17)19-12-15-6-4-3-5-7-15/h3-11,19,21H,12H2,1-2H3
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n/an/a 9.80E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]-ET1 binding to vascular smooth muscle (vsm)- A10 cells


J Med Chem 37: 329-31 (1994)


Article DOI: 10.1021/jm00029a001
BindingDB Entry DOI: 10.7270/Q24M93KB
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50034441
PNG
(5-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-naphthalen...)
Show SMILES Cc1noc(NS(=O)(=O)c2cccc3c(cccc23)C(O)=O)c1C
Show InChI InChI=1S/C16H14N2O5S/c1-9-10(2)17-23-15(9)18-24(21,22)14-8-4-5-11-12(14)6-3-7-13(11)16(19)20/h3-8,18H,1-2H3,(H,19,20)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]-ET1 binding to vascular smooth muscle (vsm)- A10 cells


J Med Chem 37: 329-31 (1994)


Article DOI: 10.1021/jm00029a001
BindingDB Entry DOI: 10.7270/Q24M93KB
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50034446
PNG
(CHEMBL27065 | Naphthalene-1-sulfonic acid (3,4-dim...)
Show SMILES Cc1noc(NS(=O)(=O)c2cccc3ccccc23)c1C
Show InChI InChI=1S/C15H14N2O3S/c1-10-11(2)16-20-15(10)17-21(18,19)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,17H,1-2H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]-ET1 binding to vascular smooth muscle (vsm)- A10 cells


J Med Chem 37: 329-31 (1994)


Article DOI: 10.1021/jm00029a001
BindingDB Entry DOI: 10.7270/Q24M93KB
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50034440
PNG
(CHEMBL286682 | N-(3,4-Dimethyl-isoxazol-5-yl)-4-pr...)
Show SMILES CCCNc1ccc(cc1)S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C14H19N3O3S/c1-4-9-15-12-5-7-13(8-6-12)21(18,19)17-14-10(2)11(3)16-20-14/h5-8,15,17H,4,9H2,1-3H3
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n/an/a 2.70E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]-ET1 binding to vascular smooth muscle (vsm)- A10 cells


J Med Chem 37: 329-31 (1994)


Article DOI: 10.1021/jm00029a001
BindingDB Entry DOI: 10.7270/Q24M93KB
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50034474
PNG
(4-Amino-N-(3-methyl-isoxazol-5-yl)-benzenesulfonam...)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(N)cc2)on1
Show InChI InChI=1S/C10H11N3O3S/c1-7-6-10(16-12-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6,13H,11H2,1H3
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n/an/a 2.80E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]-ET1 binding to vascular smooth muscle (vsm)- A10 cells


J Med Chem 37: 329-31 (1994)


Article DOI: 10.1021/jm00029a001
BindingDB Entry DOI: 10.7270/Q24M93KB
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50044084
PNG
(4-Cyano-N-(3,4-dimethyl-isoxazol-5-yl)-benzenesulf...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccc(cc2)C#N)c1C
Show InChI InChI=1S/C12H11N3O3S/c1-8-9(2)14-18-12(8)15-19(16,17)11-5-3-10(7-13)4-6-11/h3-6,15H,1-2H3
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n/an/a>3.20E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]-ET1 binding to vascular smooth muscle (vsm)- A10 cells


J Med Chem 37: 329-31 (1994)


Article DOI: 10.1021/jm00029a001
BindingDB Entry DOI: 10.7270/Q24M93KB
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50036288
PNG
(4-Dimethylamino-N-(3,4-dimethyl-isoxazol-5-yl)-ben...)
Show SMILES CN(C)c1ccc(cc1)S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C13H17N3O3S/c1-9-10(2)14-19-13(9)15-20(17,18)12-7-5-11(6-8-12)16(3)4/h5-8,15H,1-4H3
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n/an/a 8.40E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [125I]-ET1 binding to vascular smooth muscle (vsm)- A10 cells


J Med Chem 37: 329-31 (1994)


Article DOI: 10.1021/jm00029a001
BindingDB Entry DOI: 10.7270/Q24M93KB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%