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Compile Data Set for Download or QSAR

Found 771 hits with Last Name = 'stein' and Initial = 'pd'   
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))
BDBM50091104
PNG
(CHEMBL29422 | N-[2'-(3,4-Dimethyl-isoxazol-5-ylsul...)
Show SMILES CC(=O)NCc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1
Show InChI InChI=1S/C23H22N4O5S/c1-14-15(2)26-32-22(14)27-33(29,30)21-7-5-4-6-20(21)19-9-8-17(23-24-10-11-31-23)12-18(19)13-25-16(3)28/h4-12,27H,13H2,1-3H3,(H,25,28)
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0.200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Human Endothelin A receptor expressed in CHO Cells.


J Med Chem 43: 3111-7 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QFM
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50091101
PNG
(4'-Oxazol-4-yl-biphenyl-2-sulfonic acid (3,4-dimet...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2cocn2)c1C
Show InChI InChI=1S/C20H17N3O4S/c1-13-14(2)22-27-20(13)23-28(24,25)19-6-4-3-5-17(19)15-7-9-16(10-8-15)18-11-26-12-21-18/h3-12,23H,1-2H3
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0.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Human Endothelin A receptor expressed in CHO Cells.


J Med Chem 43: 3111-7 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QFM
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50109666
PNG
(4'-Pyrimidin-2-yl-biphenyl-2-sulfonic acid (3,4-di...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2ncccn2)c1C
Show InChI InChI=1S/C21H18N4O3S/c1-14-15(2)24-28-21(14)25-29(26,27)19-7-4-3-6-18(19)16-8-10-17(11-9-16)20-22-12-5-13-23-20/h3-13,25H,1-2H3
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0.900n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells stably expressing human Endothelin A receptor.


Bioorg Med Chem Lett 12: 517-20 (2002)


BindingDB Entry DOI: 10.7270/Q2GF0STQ
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50091105
PNG
(4''-Oxazol-2-yl-biphenyl-2-sulfonic acid (3,4-dime...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2ncco2)c1C
Show InChI InChI=1S/C20H17N3O4S/c1-13-14(2)22-27-19(13)23-28(24,25)18-6-4-3-5-17(18)15-7-9-16(10-8-15)20-21-11-12-26-20/h3-12,23H,1-2H3
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1.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells stably expressing human Endothelin A receptor.


Bioorg Med Chem Lett 12: 517-20 (2002)


BindingDB Entry DOI: 10.7270/Q2GF0STQ
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50091105
PNG
(4''-Oxazol-2-yl-biphenyl-2-sulfonic acid (3,4-dime...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2ncco2)c1C
Show InChI InChI=1S/C20H17N3O4S/c1-13-14(2)22-27-19(13)23-28(24,25)18-6-4-3-5-17(18)15-7-9-16(10-8-15)20-21-11-12-26-20/h3-12,23H,1-2H3
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1.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Human Endothelin A receptor expressed in CHO Cells.


J Med Chem 43: 3111-7 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QFM
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068673
PNG
(2'-Formylaminomethyl-4'-isobutyl-biphenyl-2-sulfon...)
Show SMILES CC(C)Cc1ccc(c(CNC=O)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C23H27N3O4S/c1-15(2)11-18-9-10-20(19(12-18)13-24-14-27)21-7-5-6-8-22(21)31(28,29)26-23-16(3)17(4)25-30-23/h5-10,12,14-15,26H,11,13H2,1-4H3,(H,24,27)
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50091108
PNG
(4'-(4-Methyl-oxazol-2-yl)-biphenyl-2-sulfonic acid...)
Show SMILES Cc1coc(n1)-c1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C21H19N3O4S/c1-13-12-27-21(22-13)17-10-8-16(9-11-17)18-6-4-5-7-19(18)29(25,26)24-20-14(2)15(3)23-28-20/h4-12,24H,1-3H3
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Human Endothelin A receptor expressed in CHO Cells.


J Med Chem 43: 3111-7 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QFM
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50109667
PNG
(4'-Pyridin-2-yl-biphenyl-2-sulfonic acid (3,4-dime...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2ccccn2)c1C
Show InChI InChI=1S/C22H19N3O3S/c1-15-16(2)24-28-22(15)25-29(26,27)21-9-4-3-7-19(21)17-10-12-18(13-11-17)20-8-5-6-14-23-20/h3-14,25H,1-2H3
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2.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells stably expressing human Endothelin A receptor.


Bioorg Med Chem Lett 12: 517-20 (2002)


BindingDB Entry DOI: 10.7270/Q2GF0STQ
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068706
PNG
(6-(2-Hydroxy-ethoxy)-4'-isobutyl-biphenyl-2-sulfon...)
Show SMILES CC(C)Cc1ccc(cc1)-c1c(OCCO)cccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C23H28N2O5S/c1-15(2)14-18-8-10-19(11-9-18)22-20(29-13-12-26)6-5-7-21(22)31(27,28)25-23-16(3)17(4)24-30-23/h5-11,15,25-26H,12-14H2,1-4H3
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2.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50109670
PNG
(4'-Pyridin-3-yl-biphenyl-2-sulfonic acid (3,4-dime...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2cccnc2)c1C
Show InChI InChI=1S/C22H19N3O3S/c1-15-16(2)24-28-22(15)25-29(26,27)21-8-4-3-7-20(21)18-11-9-17(10-12-18)19-6-5-13-23-14-19/h3-14,25H,1-2H3
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3.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells stably expressing human Endothelin A receptor.


Bioorg Med Chem Lett 12: 517-20 (2002)


BindingDB Entry DOI: 10.7270/Q2GF0STQ
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50091109
PNG
(4'-Oxazol-5-yl-biphenyl-2-sulfonic acid (3,4-dimet...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2cnco2)c1C
Show InChI InChI=1S/C20H17N3O4S/c1-13-14(2)22-27-20(13)23-28(24,25)19-6-4-3-5-17(19)15-7-9-16(10-8-15)18-11-21-12-26-18/h3-12,23H,1-2H3
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3.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Human Endothelin A receptor expressed in CHO Cells.


J Med Chem 43: 3111-7 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QFM
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50109659
PNG
(4'-[1,3,4]Oxadiazol-2-yl-biphenyl-2-sulfonic acid ...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2nnco2)c1C
Show InChI InChI=1S/C19H16N4O4S/c1-12-13(2)22-27-18(12)23-28(24,25)17-6-4-3-5-16(17)14-7-9-15(10-8-14)19-21-20-11-26-19/h3-11,23H,1-2H3
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4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells stably expressing human Endothelin A receptor.


Bioorg Med Chem Lett 12: 517-20 (2002)


BindingDB Entry DOI: 10.7270/Q2GF0STQ
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50091106
PNG
(4'-(5-Methyl-oxazol-4-yl)-biphenyl-2-sulfonic acid...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2ncoc2C)c1C
Show InChI InChI=1S/C21H19N3O4S/c1-13-14(2)23-28-21(13)24-29(25,26)19-7-5-4-6-18(19)16-8-10-17(11-9-16)20-15(3)27-12-22-20/h4-12,24H,1-3H3
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4.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Human Endothelin A receptor expressed in CHO Cells.


J Med Chem 43: 3111-7 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QFM
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50068674
PNG
(2'-Amino-4'-isobutyl-biphenyl-2-sulfonic acid (3,4...)
Show SMILES CC(C)Cc1ccc(c(N)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C21H25N3O3S/c1-13(2)11-16-9-10-17(19(22)12-16)18-7-5-6-8-20(18)28(25,26)24-21-14(3)15(4)23-27-21/h5-10,12-13,24H,11,22H2,1-4H3
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4.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Human Endothelin A receptor expressed in CHO Cells.


J Med Chem 43: 3111-7 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QFM
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068674
PNG
(2'-Amino-4'-isobutyl-biphenyl-2-sulfonic acid (3,4...)
Show SMILES CC(C)Cc1ccc(c(N)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C21H25N3O3S/c1-13(2)11-16-9-10-17(19(22)12-16)18-7-5-6-8-20(18)28(25,26)24-21-14(3)15(4)23-27-21/h5-10,12-13,24H,11,22H2,1-4H3
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4.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358883
PNG
(CHEMBL1923468)
Show SMILES Clc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H]1CCCN(CC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C1=O |r|
Show InChI InChI=1S/C28H29ClN4O5S/c29-22-8-6-20-13-23(9-7-19(20)12-22)39(37,38)30-24-3-2-10-31(28(24)36)17-27(35)32-14-18-11-21(16-32)25-4-1-5-26(34)33(25)15-18/h1,4-9,12-13,18,21,24,30H,2-3,10-11,14-17H2/t18-,21+,24-/m0/s1
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4.71n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Michaelis Menten equation analysis


Bioorg Med Chem Lett 21: 7516-21 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.098
BindingDB Entry DOI: 10.7270/Q2MK6DBS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
EDNRA


(RAT)
BDBM50068720
PNG
(6-Hydroxy-4'-isobutyl-biphenyl-2-sulfonic acid (3,...)
Show SMILES CC(C)Cc1ccc(cc1)-c1c(O)cccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C21H24N2O4S/c1-13(2)12-16-8-10-17(11-9-16)20-18(24)6-5-7-19(20)28(25,26)23-21-14(3)15(4)22-27-21/h5-11,13,23-24H,12H2,1-4H3
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5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068713
PNG
(4'-Isobutyl-2'-methyl-biphenyl-2-sulfonic acid (3,...)
Show SMILES CC(C)Cc1ccc(c(C)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C22H26N2O3S/c1-14(2)12-18-10-11-19(15(3)13-18)20-8-6-7-9-21(20)28(25,26)24-22-16(4)17(5)23-27-22/h6-11,13-14,24H,12H2,1-5H3
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5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50109668
PNG
(4'-Thiazol-2-yl-biphenyl-2-sulfonic acid (3,4-dime...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2nccs2)c1C
Show InChI InChI=1S/C20H17N3O3S2/c1-13-14(2)22-26-19(13)23-28(24,25)18-6-4-3-5-17(18)15-7-9-16(10-8-15)20-21-11-12-27-20/h3-12,23H,1-2H3
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5.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells stably expressing human Endothelin A receptor.


Bioorg Med Chem Lett 12: 517-20 (2002)


BindingDB Entry DOI: 10.7270/Q2GF0STQ
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50109664
PNG
(4'-Pyrazin-2-yl-biphenyl-2-sulfonic acid (3,4-dime...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2cnccn2)c1C
Show InChI InChI=1S/C21H18N4O3S/c1-14-15(2)24-28-21(14)25-29(26,27)20-6-4-3-5-18(20)16-7-9-17(10-8-16)19-13-22-11-12-23-19/h3-13,25H,1-2H3
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6.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells stably expressing human Endothelin A receptor.


Bioorg Med Chem Lett 12: 517-20 (2002)


BindingDB Entry DOI: 10.7270/Q2GF0STQ
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068740
PNG
(2'-Ethylamino-4'-isobutyl-biphenyl-2-sulfonic acid...)
Show SMILES CCNc1cc(CC(C)C)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C23H29N3O3S/c1-6-24-21-14-18(13-15(2)3)11-12-19(21)20-9-7-8-10-22(20)30(27,28)26-23-16(4)17(5)25-29-23/h7-12,14-15,24,26H,6,13H2,1-5H3
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6.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068697
PNG
(2'-(2-Hydroxy-ethylamino)-4'-isobutyl-biphenyl-2-s...)
Show SMILES CC(C)Cc1ccc(c(NCCO)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C23H29N3O4S/c1-15(2)13-18-9-10-19(21(14-18)24-11-12-27)20-7-5-6-8-22(20)31(28,29)26-23-16(3)17(4)25-30-23/h5-10,14-15,24,26-27H,11-13H2,1-4H3
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6.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50109663
PNG
(4'-Pyrazol-1-yl-biphenyl-2-sulfonic acid (3,4-dime...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-n2cccn2)c1C
Show InChI InChI=1S/C20H18N4O3S/c1-14-15(2)22-27-20(14)23-28(25,26)19-7-4-3-6-18(19)16-8-10-17(11-9-16)24-13-5-12-21-24/h3-13,23H,1-2H3
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6.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells stably expressing human Endothelin A receptor.


Bioorg Med Chem Lett 12: 517-20 (2002)


BindingDB Entry DOI: 10.7270/Q2GF0STQ
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068736
PNG
(2'-Hydroxy-4'-isobutyl-biphenyl-2-sulfonic acid (3...)
Show SMILES CC(C)Cc1ccc(c(O)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C21H24N2O4S/c1-13(2)11-16-9-10-17(19(24)12-16)18-7-5-6-8-20(18)28(25,26)23-21-14(3)15(4)22-27-21/h5-10,12-13,23-24H,11H2,1-4H3
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8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50091107
PNG
(4'-(5-Methyl-oxazol-2-yl)-biphenyl-2-sulfonic acid...)
Show SMILES Cc1cnc(o1)-c1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C21H19N3O4S/c1-13-12-22-21(27-13)17-10-8-16(9-11-17)18-6-4-5-7-19(18)29(25,26)24-20-14(2)15(3)23-28-20/h4-12,24H,1-3H3
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11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Human Endothelin A receptor expressed in CHO Cells.


J Med Chem 43: 3111-7 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QFM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50175075
PNG
((S,Z)-4-hydroxybutyl 2-cyano-3-(2-methylbenzofuran...)
Show SMILES Cc1cc2cc(ccc2o1)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)C(C#N)C(=O)OCCCCO |w:10.11|
Show InChI InChI=1S/C29H37N5O6/c1-20-16-21-17-22(9-10-25(21)40-20)31-27(23(18-30)29(38)39-15-7-6-14-35)32-24-8-2-3-13-34(28(24)37)19-26(36)33-11-4-5-12-33/h9-10,16-17,23-24,35H,2-8,11-15,19H2,1H3,(H,31,32)/t23?,24-/m0/s1
PDB
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12n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human FXa


Bioorg Med Chem Lett 15: 5453-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.107
BindingDB Entry DOI: 10.7270/Q2KH0MW5
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068685
PNG
(4'-Isobutyl-biphenyl-2-sulfonic acid (4,5-dimethyl...)
Show SMILES CC(C)Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1noc(C)c1C
Show InChI InChI=1S/C21H24N2O3S/c1-14(2)13-17-9-11-18(12-10-17)19-7-5-6-8-20(19)27(24,25)23-21-15(3)16(4)26-22-21/h5-12,14H,13H2,1-4H3,(H,22,23)
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13n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068722
PNG
(5-Amino-4'-isobutyl-biphenyl-2-sulfonic acid (3,4-...)
Show SMILES CC(C)Cc1ccc(cc1)-c1cc(N)ccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C21H25N3O3S/c1-13(2)11-16-5-7-17(8-6-16)19-12-18(22)9-10-20(19)28(25,26)24-21-14(3)15(4)23-27-21/h5-10,12-13,24H,11,22H2,1-4H3
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14n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068704
PNG
(4'-Isobutyl-2'-methylamino-biphenyl-2-sulfonic aci...)
Show SMILES CNc1cc(CC(C)C)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C22H27N3O3S/c1-14(2)12-17-10-11-18(20(13-17)23-5)19-8-6-7-9-21(19)29(26,27)25-22-15(3)16(4)24-28-22/h6-11,13-14,23,25H,12H2,1-5H3
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14n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068716
PNG
(2'-Amino-biphenyl-2-sulfonic acid (3,4-dimethyl-is...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccccc2N)c1C
Show InChI InChI=1S/C17H17N3O3S/c1-11-12(2)19-23-17(11)20-24(21,22)16-10-6-4-8-14(16)13-7-3-5-9-15(13)18/h3-10,20H,18H2,1-2H3
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16n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50091103
PNG
(4'-(4,5-Dimethyl-oxazol-2-yl)-biphenyl-2-sulfonic ...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2nc(C)c(C)o2)c1C
Show InChI InChI=1S/C22H21N3O4S/c1-13-14(2)24-29-21(13)25-30(26,27)20-8-6-5-7-19(20)17-9-11-18(12-10-17)22-23-15(3)16(4)28-22/h5-12,25H,1-4H3
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16n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Human Endothelin A receptor expressed in CHO Cells.


J Med Chem 43: 3111-7 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QFM
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068719
PNG
(4'-Isobutyl-6-methoxy-biphenyl-2-sulfonic acid (3,...)
Show SMILES COc1cccc(c1-c1ccc(CC(C)C)cc1)S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C22H26N2O4S/c1-14(2)13-17-9-11-18(12-10-17)21-19(27-5)7-6-8-20(21)29(25,26)24-22-15(3)16(4)23-28-22/h6-12,14,24H,13H2,1-5H3
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16n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068717
PNG
(2'-Formylamino-4'-isobutyl-biphenyl-2-sulfonic aci...)
Show SMILES CC(C)Cc1ccc(c(NC=O)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C22H25N3O4S/c1-14(2)11-17-9-10-18(20(12-17)23-13-26)19-7-5-6-8-21(19)30(27,28)25-22-15(3)16(4)24-29-22/h5-10,12-14,25H,11H2,1-4H3,(H,23,26)
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17n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068676
PNG
(4'-Isopropoxy-biphenyl-2-sulfonic acid (3,4-dimeth...)
Show SMILES CC(C)Oc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C20H22N2O4S/c1-13(2)25-17-11-9-16(10-12-17)18-7-5-6-8-19(18)27(23,24)22-20-14(3)15(4)21-26-20/h5-13,22H,1-4H3
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17n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50068742
PNG
(4'-Isobutyl-biphenyl-2-sulfonic acid (3,4-dimethyl...)
Show SMILES CC(C)Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C21H24N2O3S/c1-14(2)13-17-9-11-18(12-10-17)19-7-5-6-8-20(19)27(24,25)23-21-15(3)16(4)22-26-21/h5-12,14,23H,13H2,1-4H3
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18n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Human Endothelin A receptor expressed in CHO Cells.


J Med Chem 43: 3111-7 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QFM
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068742
PNG
(4'-Isobutyl-biphenyl-2-sulfonic acid (3,4-dimethyl...)
Show SMILES CC(C)Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C21H24N2O3S/c1-14(2)13-17-9-11-18(12-10-17)19-7-5-6-8-20(19)27(24,25)23-21-15(3)16(4)22-26-21/h5-12,14,23H,13H2,1-4H3
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18n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50091102
PNG
(4'-Oxazol-2-ylmethyl-biphenyl-2-sulfonic acid (3,4...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(Cc3ncco3)cc2)c1C
Show InChI InChI=1S/C21H19N3O4S/c1-14-15(2)23-28-21(14)24-29(25,26)19-6-4-3-5-18(19)17-9-7-16(8-10-17)13-20-22-11-12-27-20/h3-12,24H,13H2,1-2H3
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19n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Human Endothelin A receptor expressed in CHO Cells.


J Med Chem 43: 3111-7 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QFM
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50109672
PNG
(4'-(1-Methyl-1H-imidazol-2-yl)-biphenyl-2-sulfonic...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2nccn2C)c1C
Show InChI InChI=1S/C21H20N4O3S/c1-14-15(2)23-28-21(14)24-29(26,27)19-7-5-4-6-18(19)16-8-10-17(11-9-16)20-22-12-13-25(20)3/h4-13,24H,1-3H3
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19n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells stably expressing human Endothelin A receptor.


Bioorg Med Chem Lett 12: 517-20 (2002)


BindingDB Entry DOI: 10.7270/Q2GF0STQ
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068729
PNG
(2'-Fluoro-4'-isobutyl-biphenyl-2-sulfonic acid (3,...)
Show SMILES CC(C)Cc1ccc(c(F)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C21H23FN2O3S/c1-13(2)11-16-9-10-17(19(22)12-16)18-7-5-6-8-20(18)28(25,26)24-21-14(3)15(4)23-27-21/h5-10,12-13,24H,11H2,1-4H3
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20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068698
PNG
(2'-Hydroxymethyl-4'-isobutyl-biphenyl-2-sulfonic a...)
Show SMILES CC(C)Cc1ccc(c(CO)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C22H26N2O4S/c1-14(2)11-17-9-10-19(18(12-17)13-25)20-7-5-6-8-21(20)29(26,27)24-22-15(3)16(4)23-28-22/h5-10,12,14,24-25H,11,13H2,1-4H3
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20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50109660
PNG
(4'-Pyrimidin-4-yl-biphenyl-2-sulfonic acid (3,4-di...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2ccncn2)c1C
Show InChI InChI=1S/C21H18N4O3S/c1-14-15(2)24-28-21(14)25-29(26,27)20-6-4-3-5-18(20)16-7-9-17(10-8-16)19-11-12-22-13-23-19/h3-13,25H,1-2H3
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25n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells stably expressing human Endothelin A receptor.


Bioorg Med Chem Lett 12: 517-20 (2002)


BindingDB Entry DOI: 10.7270/Q2GF0STQ
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068694
PNG
(4'-Propyl-biphenyl-2-sulfonic acid (3,4-dimethyl-i...)
Show SMILES CCCc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C20H22N2O3S/c1-4-7-16-10-12-17(13-11-16)18-8-5-6-9-19(18)26(23,24)22-20-14(2)15(3)21-25-20/h5-6,8-13,22H,4,7H2,1-3H3
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28n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068677
PNG
(4'-Isobutyl-2'-propylamino-biphenyl-2-sulfonic aci...)
Show SMILES CCCNc1cc(CC(C)C)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C24H31N3O3S/c1-6-13-25-22-15-19(14-16(2)3)11-12-20(22)21-9-7-8-10-23(21)31(28,29)27-24-17(4)18(5)26-30-24/h7-12,15-16,25,27H,6,13-14H2,1-5H3
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29n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068686
PNG
(4'-Isobutoxy-biphenyl-2-sulfonic acid (3,4-dimethy...)
Show SMILES CC(C)COc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C21H24N2O4S/c1-14(2)13-26-18-11-9-17(10-12-18)19-7-5-6-8-20(19)28(24,25)23-21-15(3)16(4)22-27-21/h5-12,14,23H,13H2,1-4H3
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32n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068746
PNG
(4'-Methoxy-biphenyl-2-sulfonic acid (3,4-dimethyl-...)
Show SMILES COc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C18H18N2O4S/c1-12-13(2)19-24-18(12)20-25(21,22)17-7-5-4-6-16(17)14-8-10-15(23-3)11-9-14/h4-11,20H,1-3H3
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33n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068738
PNG
(4'-Isobutyl-2'-isopropylamino-biphenyl-2-sulfonic ...)
Show SMILES CC(C)Cc1ccc(c(NC(C)C)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C24H31N3O3S/c1-15(2)13-19-11-12-20(22(14-19)25-16(3)4)21-9-7-8-10-23(21)31(28,29)27-24-17(5)18(6)26-30-24/h7-12,14-16,25,27H,13H2,1-6H3
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34n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068735
PNG
(4'-Butyl-biphenyl-2-sulfonic acid (3,4-dimethyl-is...)
Show SMILES CCCCc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C21H24N2O3S/c1-4-5-8-17-11-13-18(14-12-17)19-9-6-7-10-20(19)27(24,25)23-21-15(2)16(3)22-26-21/h6-7,9-14,23H,4-5,8H2,1-3H3
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37n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50109662
PNG
(4'-(1-Oxy-pyridin-2-yl)-biphenyl-2-sulfonic acid (...)
Show SMILES Cc1[n-][o+]c(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2cccc[n+]2[O-])c1C
Show InChI InChI=1S/C22H19N3O4S/c1-15-16(2)23-29-22(15)24-30(27,28)21-9-4-3-7-19(21)17-10-12-18(13-11-17)20-8-5-6-14-25(20)26/h3-14,24H,1-2H3
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antibodypedia
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37n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells stably expressing human Endothelin A receptor.


Bioorg Med Chem Lett 12: 517-20 (2002)


BindingDB Entry DOI: 10.7270/Q2GF0STQ
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50109673
PNG
(CHEMBL149763 | [1,1';4',1'']Terphenyl-2-sulfonic a...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2ccccc2)c1C
Show InChI InChI=1S/C23H20N2O3S/c1-16-17(2)24-28-23(16)25-29(26,27)22-11-7-6-10-21(22)20-14-12-19(13-15-20)18-8-4-3-5-9-18/h3-15,25H,1-2H3
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antibodypedia
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38n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells stably expressing human Endothelin A receptor.


Bioorg Med Chem Lett 12: 517-20 (2002)


BindingDB Entry DOI: 10.7270/Q2GF0STQ
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068731
PNG
(4'-Isopropylsulfanyl-biphenyl-2-sulfonic acid (3,4...)
Show SMILES CC(C)Sc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C20H22N2O3S2/c1-13(2)26-17-11-9-16(10-12-17)18-7-5-6-8-19(18)27(23,24)22-20-14(3)15(4)21-25-20/h5-13,22H,1-4H3
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39n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair
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