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Compile Data Set for Download or QSAR

Found 118 hits with Last Name = 'dickey' and Initial = 'j'   
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)


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


(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)


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


(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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n/an/a 15n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50034458
PNG
(5-Isopropylamino-naphthalene-1-sulfonic acid (3,4-...)
Show SMILES CC(C)Nc1cccc2c(cccc12)S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C18H21N3O3S/c1-11(2)19-16-9-5-8-15-14(16)7-6-10-17(15)25(22,23)21-18-12(3)13(4)20-24-18/h5-11,19,21H,1-4H3
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n/an/a 20n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50034428
PNG
(5-Pyrrolidin-1-yl-naphthalene-1-sulfonic acid (3,4...)
Show SMILES Cc1noc(NS(=O)(=O)c2cccc3c(cccc23)N2CCCC2)c1C
Show InChI InChI=1S/C19H21N3O3S/c1-13-14(2)20-25-19(13)21-26(23,24)18-10-6-7-15-16(18)8-5-9-17(15)22-11-3-4-12-22/h5-10,21H,3-4,11-12H2,1-2H3
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50034488
PNG
(5-Dimethylamino-naphthalene-1-sulfonic acid (4,5-d...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1noc(C)c1C
Show InChI InChI=1S/C17H19N3O3S/c1-11-12(2)23-18-17(11)19-24(21,22)16-10-6-7-13-14(16)8-5-9-15(13)20(3)4/h5-10H,1-4H3,(H,18,19)
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n/an/a 60n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50034492
PNG
(5-Ethylamino-naphthalene-1-sulfonic acid (3,4-dime...)
Show SMILES CCNc1cccc2c(cccc12)S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C17H19N3O3S/c1-4-18-15-9-5-8-14-13(15)7-6-10-16(14)24(21,22)20-17-11(2)12(3)19-23-17/h5-10,18,20H,4H2,1-3H3
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n/an/a 60n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50034411
PNG
(5-Pentylamino-naphthalene-1-sulfonic acid (3,4-dim...)
Show SMILES CCCCCNc1cccc2c(cccc12)S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C20H25N3O3S/c1-4-5-6-13-21-18-11-7-10-17-16(18)9-8-12-19(17)27(24,25)23-20-14(2)15(3)22-26-20/h7-12,21,23H,4-6,13H2,1-3H3
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n/an/a 80n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50034457
PNG
(5-(Isopropyl-methyl-amino)-naphthalene-1-sulfonic ...)
Show SMILES CC(C)N(C)c1cccc2c(cccc12)S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C19H23N3O3S/c1-12(2)22(5)17-10-6-9-16-15(17)8-7-11-18(16)26(23,24)21-19-13(3)14(4)20-25-19/h6-12,21H,1-5H3
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n/an/a 130n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50034453
PNG
(5-Methylamino-naphthalene-1-sulfonic acid (3,4-dim...)
Show SMILES CNc1cccc2c(cccc12)S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C16H17N3O3S/c1-10-11(2)18-22-16(10)19-23(20,21)15-9-5-6-12-13(15)7-4-8-14(12)17-3/h4-9,17,19H,1-3H3
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n/an/a 130n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50034439
PNG
(5-(2-Oxo-pyrrolidin-1-yl)-naphthalene-1-sulfonic a...)
Show SMILES Cc1noc(NS(=O)(=O)c2cccc3c(cccc23)N2CCCC2=O)c1C
Show InChI InChI=1S/C19H19N3O4S/c1-12-13(2)20-26-19(12)21-27(24,25)17-9-4-6-14-15(17)7-3-8-16(14)22-11-5-10-18(22)23/h3-4,6-9,21H,5,10-11H2,1-2H3
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n/an/a 130n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
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)


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


(RAT)
BDBM50034475
PNG
(5-(3-Phenyl-thioureido)-naphthalene-1-sulfonic aci...)
Show SMILES Cc1noc(NS(=O)(=O)c2cccc3c(NC(=S)Nc4ccccc4)cccc23)c1C
Show InChI InChI=1S/C22H20N4O3S2/c1-14-15(2)25-29-21(14)26-31(27,28)20-13-7-10-17-18(20)11-6-12-19(17)24-22(30)23-16-8-4-3-5-9-16/h3-13,26H,1-2H3,(H2,23,24,30)
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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
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50034433
PNG
(4-Amino-N-(4,5-dimethyl-isoxazol-3-yl)-benzenesulf...)
Show SMILES Cc1onc(NS(=O)(=O)c2ccc(N)cc2)c1C
Show InChI InChI=1S/C11H13N3O3S/c1-7-8(2)17-13-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6H,12H2,1-2H3,(H,13,14)
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n/an/a 260n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50034486
PNG
(5-(2-Oxo-piperidin-1-yl)-naphthalene-1-sulfonic ac...)
Show SMILES Cc1noc(NS(=O)(=O)c2cccc3c(cccc23)N2CCCCC2=O)c1C
Show InChI InChI=1S/C20H21N3O4S/c1-13-14(2)21-27-20(13)22-28(25,26)18-10-6-7-15-16(18)8-5-9-17(15)23-12-4-3-11-19(23)24/h5-10,22H,3-4,11-12H2,1-2H3
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n/an/a 270n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50034409
PNG
(5-Dimethylamino-naphthalene-1-sulfonic acid (4-eth...)
Show SMILES CCc1c(C)noc1NS(=O)(=O)c1cccc2c(cccc12)N(C)C
Show InChI InChI=1S/C18H21N3O3S/c1-5-13-12(2)19-24-18(13)20-25(22,23)17-11-7-8-14-15(17)9-6-10-16(14)21(3)4/h6-11,20H,5H2,1-4H3
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n/an/a 290n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50034454
PNG
(2-[5-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-naphtha...)
Show SMILES CCOC(=O)C(C)Nc1cccc2c(cccc12)S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C20H23N3O5S/c1-5-27-20(24)14(4)21-17-10-6-9-16-15(17)8-7-11-18(16)29(25,26)23-19-12(2)13(3)22-28-19/h6-11,14,21,23H,5H2,1-4H3
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n/an/a 400n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
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)


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


(RAT)
BDBM50034451
PNG
(5-Benzylamino-naphthalene-1-sulfonic acid (3,4-dim...)
Show SMILES Cc1noc(NS(=O)(=O)c2cccc3c(NCc4ccccc4)cccc23)c1C
Show InChI InChI=1S/C22H21N3O3S/c1-15-16(2)24-28-22(15)25-29(26,27)21-13-7-10-18-19(21)11-6-12-20(18)23-14-17-8-4-3-5-9-17/h3-13,23,25H,14H2,1-2H3
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n/an/a 590n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50034436
PNG
(6-Amino-naphthalene-2-sulfonic acid (3,4-dimethyl-...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccc3cc(N)ccc3c2)c1C
Show InChI InChI=1S/C15H15N3O3S/c1-9-10(2)17-21-15(9)18-22(19,20)14-6-4-11-7-13(16)5-3-12(11)8-14/h3-8,18H,16H2,1-2H3
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n/an/a 660n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
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)


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


(RAT)
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
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50034420
PNG
(6-Dimethylamino-naphthalene-1-sulfonic acid (3,4-d...)
Show SMILES CN(C)c1ccc2c(cccc2c1)S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C17H19N3O3S/c1-11-12(2)18-23-17(11)19-24(21,22)16-7-5-6-13-10-14(20(3)4)8-9-15(13)16/h5-10,19H,1-4H3
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n/an/a 840n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50034416
PNG
(CHEMBL283175 | N-[8-(3,4-Dimethyl-isoxazol-5-ylsul...)
Show SMILES CC(=O)Nc1ccc2cccc(c2c1)S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C17H17N3O4S/c1-10-11(2)19-24-17(10)20-25(22,23)16-6-4-5-13-7-8-14(9-15(13)16)18-12(3)21/h4-9,20H,1-3H3,(H,18,21)
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n/an/a 870n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50034472
PNG
(CHEMBL26252 | N-[5-(3,4-Dimethyl-isoxazol-5-ylsulf...)
Show SMILES CC(C)C(=O)Nc1cccc2c(cccc12)S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C19H21N3O4S/c1-11(2)18(23)20-16-9-5-8-15-14(16)7-6-10-17(15)27(24,25)22-19-12(3)13(4)21-26-19/h5-11,22H,1-4H3,(H,20,23)
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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
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
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)


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


(RAT)
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
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))
BDBM50292393
PNG
(CHEMBL507352 | phosphatidyl glycerol)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(O)CO)OC(=O)CCCCCCC\C=C\C\C=C\CCCCC
Show InChI InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37-38,41-42H,3-10,12,14-16,19-36H2,1-2H3,(H,45,46)/b13-11+,18-17+
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n/an/a 1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of immobilized sulfatide from P-selectin transfected in african green monkey COS cells by IgG-based competitive ELISA


J Nat Prod 60: 387-9 (1997)


Article DOI: 10.1021/np9606761
BindingDB Entry DOI: 10.7270/Q2N879TD
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50034459
PNG
(CHEMBL26522 | N-(3,4-Dimethyl-isoxazol-5-yl)-4-flu...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccc(F)cc2)c1C
Show InChI InChI=1S/C11H11FN2O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50034487
PNG
(5-Dimethylamino-naphthalene-1-sulfonic acid (3-eth...)
Show SMILES CCc1noc(NS(=O)(=O)c2cccc3c(cccc23)N(C)C)c1C
Show InChI InChI=1S/C18H21N3O3S/c1-5-15-12(2)18(24-19-15)20-25(22,23)17-11-7-8-13-14(17)9-6-10-16(13)21(3)4/h6-11,20H,5H2,1-4H3
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n/an/a 1.17E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50034476
PNG
(3-Amino-N-(3,4-dimethyl-isoxazol-5-yl)-benzenesulf...)
Show SMILES Cc1noc(NS(=O)(=O)c2cccc(N)c2)c1C
Show InChI InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-4-9(12)6-10/h3-6,14H,12H2,1-2H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50034429
PNG
(CHEMBL27187 | N-[5-(3,4-Dimethyl-isoxazol-5-ylsulf...)
Show SMILES CC(=O)Nc1ccc2c(cccc2c1)S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C17H17N3O4S/c1-10-11(2)19-24-17(10)20-25(22,23)16-6-4-5-13-9-14(18-12(3)21)7-8-15(13)16/h4-9,20H,1-3H3,(H,18,21)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50034415
PNG
(7-Dimethylamino-naphthalene-2-sulfonic acid (3,4-d...)
Show SMILES CN(C)c1ccc2ccc(cc2c1)S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C17H19N3O3S/c1-11-12(2)18-23-17(11)19-24(21,22)16-8-6-13-5-7-15(20(3)4)9-14(13)10-16/h5-10,19H,1-4H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50034413
PNG
(7-Amino-naphthalene-1-sulfonic acid (3,4-dimethyl-...)
Show SMILES Cc1noc(NS(=O)(=O)c2cccc3ccc(N)cc23)c1C
Show InChI InChI=1S/C15H15N3O3S/c1-9-10(2)17-21-15(9)18-22(19,20)14-5-3-4-11-6-7-12(16)8-13(11)14/h3-8,18H,16H2,1-2H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50034480
PNG
(5-Piperidin-1-yl-naphthalene-1-sulfonic acid (3,4-...)
Show SMILES Cc1noc(NS(=O)(=O)c2cccc3c(cccc23)N2CCCCC2)c1C
Show InChI InChI=1S/C20H23N3O3S/c1-14-15(2)21-26-20(14)22-27(24,25)19-11-7-8-16-17(19)9-6-10-18(16)23-12-4-3-5-13-23/h6-11,22H,3-5,12-13H2,1-2H3
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n/an/a 1.76E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50034491
PNG
(4-[5-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-naphtha...)
Show SMILES Cc1noc(NS(=O)(=O)c2cccc3c(NCCCC(O)=O)cccc23)c1C
Show InChI InChI=1S/C19H21N3O5S/c1-12-13(2)21-27-19(12)22-28(25,26)17-9-4-6-14-15(17)7-3-8-16(14)20-11-5-10-18(23)24/h3-4,6-9,20,22H,5,10-11H2,1-2H3,(H,23,24)
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n/an/a 1.96E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50034447
PNG
(CHEMBL281199 | N-(3,4-Dimethyl-isoxazol-5-yl)-3-pr...)
Show SMILES CCCNc1cccc(c1)S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C14H19N3O3S/c1-4-8-15-12-6-5-7-13(9-12)21(18,19)17-14-10(2)11(3)16-20-14/h5-7,9,15,17H,4,8H2,1-3H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50034426
PNG
(6-Amino-naphthalene-1-sulfonic acid (3,4-dimethyl-...)
Show SMILES Cc1noc(NS(=O)(=O)c2cccc3cc(N)ccc23)c1C
Show InChI InChI=1S/C15H15N3O3S/c1-9-10(2)17-21-15(9)18-22(19,20)14-5-3-4-11-8-12(16)6-7-13(11)14/h3-8,18H,16H2,1-2H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50034485
PNG
(CHEMBL30077 | N-[6-(3,4-Dimethyl-isoxazol-5-ylsulf...)
Show SMILES CC(=O)Nc1cccc2cc(ccc12)S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C17H17N3O4S/c1-10-11(2)19-24-17(10)20-25(22,23)14-7-8-15-13(9-14)5-4-6-16(15)18-12(3)21/h4-9,20H,1-3H3,(H,18,21)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
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)


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


(RAT)
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
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50034460
PNG
(5-(1-Hydroxy-1-methyl-ethyl)-naphthalene-1-sulfoni...)
Show SMILES Cc1noc(NS(=O)(=O)c2cccc3c(cccc23)C(C)(C)O)c1C
Show InChI InChI=1S/C18H20N2O4S/c1-11-12(2)19-24-17(11)20-25(22,23)16-10-6-7-13-14(16)8-5-9-15(13)18(3,4)21/h5-10,20-21H,1-4H3
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n/an/a 2.89E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50034431
PNG
(5-(5-Phenyl-pentylamino)-naphthalene-1-sulfonic ac...)
Show SMILES Cc1noc(NS(=O)(=O)c2cccc3c(NCCCCCc4ccccc4)cccc23)c1C
Show InChI InChI=1S/C26H29N3O3S/c1-19-20(2)28-32-26(19)29-33(30,31)25-17-10-14-22-23(25)15-9-16-24(22)27-18-8-4-7-13-21-11-5-3-6-12-21/h3,5-6,9-12,14-17,27,29H,4,7-8,13,18H2,1-2H3
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n/an/a 3.05E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50034442
PNG
(5-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-naphthalen...)
Show SMILES COC(=O)c1cccc2c(cccc12)S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C17H16N2O5S/c1-10-11(2)18-24-16(10)19-25(21,22)15-9-5-6-12-13(15)7-4-8-14(12)17(20)23-3/h4-9,19H,1-3H3
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n/an/a 3.38E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50034425
PNG
(CHEMBL26527 | N-[4-(3,4-Dimethyl-isoxazol-5-ylsulf...)
Show SMILES CC(=O)Nc1ccc(c2ccccc12)S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C17H17N3O4S/c1-10-11(2)19-24-17(10)20-25(22,23)16-9-8-15(18-12(3)21)13-6-4-5-7-14(13)16/h4-9,20H,1-3H3,(H,18,21)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50034490
PNG
(4-Amino-naphthalene-1-sulfonic acid (3,4-dimethyl-...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccc(N)c3ccccc23)c1C
Show InChI InChI=1S/C15H15N3O3S/c1-9-10(2)17-21-15(9)18-22(19,20)14-8-7-13(16)11-5-3-4-6-12(11)14/h3-8,18H,16H2,1-2H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50034423
PNG
(CHEMBL433234 | N-[6-(3,4-Dimethyl-isoxazol-5-ylsul...)
Show SMILES CC(=O)Nc1ccc2cc(ccc2c1)S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C17H17N3O4S/c1-10-11(2)19-24-17(10)20-25(22,23)16-7-5-13-8-15(18-12(3)21)6-4-14(13)9-16/h4-9,20H,1-3H3,(H,18,21)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
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
PDB

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antibodypedia
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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)


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


(RAT)
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
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50029770
PNG
(4-amino-N-(5-methyl-isoxazol-3-yl)-benzenesulfonam...)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1
Show InChI InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
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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
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
More data for this
Ligand-Target Pair
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