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Compile Data Set for Download or QSAR

Found 370 hits with Last Name = 'reynolds' and Initial = 'ee'   
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))
BDBM50057169
PNG
(3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...)
Show SMILES CCOc1cc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccc3OCOc3c2)cc(OCC)c1OCC
Show InChI InChI=1S/C31H32O9/c1-5-35-26-15-19(16-27(36-6-2)29(26)37-7-3)14-23-28(20-8-13-24-25(17-20)39-18-38-24)30(32)40-31(23,33)21-9-11-22(34-4)12-10-21/h8-13,15-17,33H,5-7,14,18H2,1-4H3
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n/an/a 0.120n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50034267
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-5-hydroxy-5-(4-methox...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C28H26O9/c1-31-19-8-6-18(7-9-19)28(30)20(11-16-12-23(32-2)26(34-4)24(13-16)33-3)25(27(29)37-28)17-5-10-21-22(14-17)36-15-35-21/h5-10,12-14,30H,11,15H2,1-4H3
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n/an/a 0.300n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057164
PNG
(CHEMBL10862 | Sodium; (Z)-2-(7-methoxy-benzo[1,3]d...)
Show SMILES COc1ccc(cc1)C(=O)C(\Cc1ccc(OC)c(OC)c1OC)=C(/C([O-])=O)c1cc2OCOc2c(OC)c1
Show InChI InChI=1S/C29H28O10/c1-33-19-9-6-16(7-10-19)25(30)20(12-17-8-11-21(34-2)28(37-5)26(17)36-4)24(29(31)32)18-13-22(35-3)27-23(14-18)38-15-39-27/h6-11,13-14H,12,15H2,1-5H3,(H,31,32)/p-1/b24-20-
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n/an/a 0.340n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Endothelin A receptor mediated (ET-1) release of arachidonic acid from rabbit renal artery vascular smooth muscle cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057202
PNG
(3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-3-m...)
Show SMILES COc1ccc(cc1C)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H28O9/c1-16-10-19(7-9-21(16)32-2)29(31)20(11-17-12-24(33-3)27(35-5)25(13-17)34-4)26(28(30)38-29)18-6-8-22-23(14-18)37-15-36-22/h6-10,12-14,31H,11,15H2,1-5H3
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n/an/a 0.5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057150
PNG
(5-Hydroxy-3-(7-methoxy-benzo[1,3]dioxol-5-yl)-5-(4...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1cc2OCOc2c(OC)c1
Show InChI InChI=1S/C29H28O10/c1-32-19-8-6-18(7-9-19)29(31)20(10-16-11-21(33-2)26(36-5)22(12-16)34-3)25(28(30)39-29)17-13-23(35-4)27-24(14-17)37-15-38-27/h6-9,11-14,31H,10,15H2,1-5H3
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n/an/a 0.5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057178
PNG
(CHEMBL10847 | Sodium; (Z)-2-(7-methoxy-benzo[1,3]d...)
Show SMILES COc1cc(cc2OCOc12)C(\C([O-])=O)=C(/Cc1ccc(OC)c(OC)c1OC)C(=O)c1ccc(OC)c(C)c1
Show InChI InChI=1S/C30H30O10/c1-16-11-17(7-9-21(16)34-2)26(31)20(12-18-8-10-22(35-3)29(38-6)27(18)37-5)25(30(32)33)19-13-23(36-4)28-24(14-19)39-15-40-28/h7-11,13-14H,12,15H2,1-6H3,(H,32,33)/p-1/b25-20-
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n/an/a 0.780n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Endothelin A receptor mediated (ET-1) release of arachidonic acid from rabbit renal artery vascular smooth muscle cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057189
PNG
(5-Hydroxy-3-(7-methoxy-benzo[1,3]dioxol-5-yl)-5-(4...)
Show SMILES COc1cc(cc2OCOc12)C1=C(Cc2cc(OC)c(OC)c(OC)c2)C(O)(OC1=O)c1ccc(OC)c(C)c1
Show InChI InChI=1S/C30H30O10/c1-16-9-19(7-8-21(16)33-2)30(32)20(10-17-11-22(34-3)27(37-6)23(12-17)35-4)26(29(31)40-30)18-13-24(36-5)28-25(14-18)38-15-39-28/h7-9,11-14,32H,10,15H2,1-6H3
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n/an/a 0.900n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057166
PNG
(CHEMBL10922 | Sodium; (Z)-2-benzo[1,3]dioxol-5-yl-...)
Show SMILES COc1ccc(cc1C)C(=O)C(\Cc1cc(OC)c(OC)c(OC)c1)=C(/C([O-])=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H28O9/c1-16-10-19(7-8-21(16)33-2)27(30)20(11-17-12-24(34-3)28(36-5)25(13-17)35-4)26(29(31)32)18-6-9-22-23(14-18)38-15-37-22/h6-10,12-14H,11,15H2,1-5H3,(H,31,32)/p-1/b26-20-
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n/an/a 0.980n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Endothelin A receptor mediated (ET-1) release of arachidonic acid from rabbit renal artery vascular smooth muscle cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50034267
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-5-hydroxy-5-(4-methox...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C28H26O9/c1-31-19-8-6-18(7-9-19)28(30)20(11-16-12-23(32-2)26(34-4)24(13-16)33-3)25(27(29)37-28)17-5-10-21-22(14-17)36-15-35-21/h5-10,12-14,30H,11,15H2,1-4H3
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n/an/a 1.10n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Endothelin A receptor mediated (ET-1) release of arachidonic acid from rabbit renal artery vascular smooth muscle cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057153
PNG
(CHEMBL10832 | Sodium; (Z)-2-benzo[1,3]dioxol-5-yl-...)
Show SMILES COc1ccc(cc1)C(=O)C(\Cc1ccc(OC)c(OC)c1OC)=C(/C([O-])=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C28H26O9/c1-32-19-9-5-16(6-10-19)25(29)20(13-18-8-12-22(33-2)27(35-4)26(18)34-3)24(28(30)31)17-7-11-21-23(14-17)37-15-36-21/h5-12,14H,13,15H2,1-4H3,(H,30,31)/p-1/b24-20-
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n/an/a 1.10n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Endothelin A receptor mediated (ET-1) release of arachidonic acid from rabbit renal artery vascular smooth muscle cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057154
PNG
(CHEMBL10697 | N-{4-[4-Benzo[1,3]dioxol-5-yl-2-hydr...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc(NC(C)=O)cc1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H23NO7/c1-16(29)28-20-8-3-17(4-9-20)13-22-25(18-5-12-23-24(14-18)34-15-33-23)26(30)35-27(22,31)19-6-10-21(32-2)11-7-19/h3-12,14,31H,13,15H2,1-2H3,(H,28,29)
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n/an/a 1.20n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50286614
PNG
(CHEMBL155943 | CHEMBL3143473 | Sodium; 2-[2-{2-[(2...)
Show SMILES [Na+].CCCC[C@@H](NC(=O)[C@@H](Cc1cn(COC)c2ccccc12)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C([O-])=O
Show InChI InChI=1S/C34H53N5O6/c1-8-9-16-26(32(42)43)35-30(40)27(18-24-20-38(21-45-7)29-17-11-10-15-25(24)29)36-31(41)28(19-34(4,5)6)37-33(44)39-22(2)13-12-14-23(39)3/h10-11,15,17,20,22-23,26-28H,8-9,12-14,16,18-19,21H2,1-7H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43)/p-1
PDB

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n/an/a 1.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity against endothelin B (ETB) receptor using human girardi heart cells.


Bioorg Med Chem Lett 5: 621-626 (1995)


Article DOI: 10.1016/0960-894X(95)00084-7
BindingDB Entry DOI: 10.7270/Q27081DM
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057179
PNG
(3-Benzo[1,3]dioxol-5-yl-4-(3,4-dimethoxy-benzyl)-5...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc(OC)c(OC)c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H24O8/c1-30-19-8-6-18(7-9-19)27(29)20(12-16-4-10-21(31-2)23(13-16)32-3)25(26(28)35-27)17-5-11-22-24(14-17)34-15-33-22/h4-11,13-14,29H,12,15H2,1-3H3
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n/an/a 1.40n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057181
PNG
(3-Benzo[1,3]dioxol-5-yl-4-(3,5-dimethoxy-benzyl)-5...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)cc(OC)c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H24O8/c1-30-19-7-5-18(6-8-19)27(29)22(12-16-10-20(31-2)14-21(11-16)32-3)25(26(28)35-27)17-4-9-23-24(13-17)34-15-33-23/h4-11,13-14,29H,12,15H2,1-3H3
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n/an/a 1.70n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057167
PNG
(3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)cc1OC)c1ccc2OCOc2c1
Show InChI InChI=1S/C28H26O9/c1-31-19-8-6-18(7-9-19)28(30)20(11-17-13-23(33-3)24(34-4)14-22(17)32-2)26(27(29)37-28)16-5-10-21-25(12-16)36-15-35-21/h5-10,12-14,30H,11,15H2,1-4H3
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n/an/a 1.80n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50034259
PNG
(3-Benzo[1,3]dioxol-5-yl-5-hydroxy-4-(4-methoxy-ben...)
Show SMILES COc1ccc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C26H22O7/c1-29-19-8-3-16(4-9-19)13-21-24(17-5-12-22-23(14-17)32-15-31-22)25(27)33-26(21,28)18-6-10-20(30-2)11-7-18/h3-12,14,28H,13,15H2,1-2H3
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n/an/a 1.80n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057194
PNG
(3-Benzo[1,3]dioxol-5-yl-4-(2,5-dimethoxy-benzyl)-5...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)ccc1OC)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H24O8/c1-30-19-7-5-18(6-8-19)27(29)21(13-17-12-20(31-2)9-11-22(17)32-3)25(26(28)35-27)16-4-10-23-24(14-16)34-15-33-23/h4-12,14,29H,13,15H2,1-3H3
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n/an/a 2.10n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50034269
PNG
(3-Benzo[1,3]dioxol-5-yl-5-hydroxy-4-(4-methoxy-3-m...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc(OC)c(C)c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H24O7/c1-16-12-17(4-10-22(16)31-3)13-21-25(18-5-11-23-24(14-18)33-15-32-23)26(28)34-27(21,29)19-6-8-20(30-2)9-7-19/h4-12,14,29H,13,15H2,1-3H3
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n/an/a 2.40n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057192
PNG
(3-Benzo[1,3]dioxol-5-yl-5-hydroxy-4-(3-methoxy-ben...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cccc(OC)c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H22O7/c1-29-19-9-7-18(8-10-19)26(28)21(13-16-4-3-5-20(12-16)30-2)24(25(27)33-26)17-6-11-22-23(14-17)32-15-31-22/h3-12,14,28H,13,15H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057207
PNG
(3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc(SC)cc1)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H22O6S/c1-29-19-8-6-18(7-9-19)26(28)21(13-16-3-10-20(33-2)11-4-16)24(25(27)32-26)17-5-12-22-23(14-17)31-15-30-22/h3-12,14,28H,13,15H2,1-2H3
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n/an/a 3.90n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057160
PNG
(3-Benzo[1,3]dioxol-5-yl-5-hydroxy-4-(4-methanesulf...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc(cc1)S(C)(=O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H22O8S/c1-31-19-8-6-18(7-9-19)26(28)21(13-16-3-10-20(11-4-16)35(2,29)30)24(25(27)34-26)17-5-12-22-23(14-17)33-15-32-22/h3-12,14,28H,13,15H2,1-2H3
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n/an/a 4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057213
PNG
(CHEMBL10905 | Potassium; (Z)-3-(4-acetylamino-benz...)
Show SMILES COc1ccc(cc1)C(=O)C(\Cc1ccc(NC(C)=O)cc1)=C(/C([O-])=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H23NO7/c1-16(29)28-20-8-3-17(4-9-20)13-22(26(30)18-5-10-21(33-2)11-6-18)25(27(31)32)19-7-12-23-24(14-19)35-15-34-23/h3-12,14H,13,15H2,1-2H3,(H,28,29)(H,31,32)/p-1/b25-22-
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n/an/a 4.90n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Endothelin A receptor mediated (ET-1) release of arachidonic acid from rabbit renal artery vascular smooth muscle cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057191
PNG
(4-Benzyl-5-hydroxy-3-(7-methoxy-benzo[1,3]dioxol-5...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1cc2OCOc2c(OC)c1
Show InChI InChI=1S/C26H22O7/c1-29-19-10-8-18(9-11-19)26(28)20(12-16-6-4-3-5-7-16)23(25(27)33-26)17-13-21(30-2)24-22(14-17)31-15-32-24/h3-11,13-14,28H,12,15H2,1-2H3
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n/an/a 6.70n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50034256
PNG
(3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-hydroxy-5-(4-me...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1
Show InChI InChI=1S/C25H20O6/c1-28-19-10-8-18(9-11-19)25(27)20(13-16-5-3-2-4-6-16)23(24(26)31-25)17-7-12-21-22(14-17)30-15-29-21/h2-12,14,27H,13,15H2,1H3
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n/an/a 7.40n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057200
PNG
(3-Benzo[1,3]dioxol-5-yl-4-(2,3-dihydro-benzo[1,4]d...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc2OCCOc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H22O8/c1-30-19-6-4-18(5-7-19)27(29)20(12-16-2-8-21-23(13-16)32-11-10-31-21)25(26(28)35-27)17-3-9-22-24(14-17)34-15-33-22/h2-9,13-14,29H,10-12,15H2,1H3
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n/an/a 7.5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057184
PNG
(3-Benzo[1,3]dioxol-5-yl-5-hydroxy-4-(4-hydroxy-ben...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc(O)cc1)c1ccc2OCOc2c1
Show InChI InChI=1S/C25H20O7/c1-29-19-9-5-17(6-10-19)25(28)20(12-15-2-7-18(26)8-3-15)23(24(27)32-25)16-4-11-21-22(13-16)31-14-30-21/h2-11,13,26,28H,12,14H2,1H3
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n/an/a 8n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057199
PNG
(4-Benzyl-5-hydroxy-3-(7-methoxy-benzo[1,3]dioxol-5...)
Show SMILES COc1cc(cc2OCOc12)C1=C(Cc2ccccc2)C(O)(OC1=O)c1ccc(OC)c(C)c1
Show InChI InChI=1S/C27H24O7/c1-16-11-19(9-10-21(16)30-2)27(29)20(12-17-7-5-4-6-8-17)24(26(28)34-27)18-13-22(31-3)25-23(14-18)32-15-33-25/h4-11,13-14,29H,12,15H2,1-3H3
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n/an/a 8.20n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057163
PNG
(3-[4-Benzo[1,3]dioxol-5-yl-2-hydroxy-2-(4-methoxy-...)
Show SMILES COC(=O)c1cccc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C27H22O8/c1-31-20-9-7-19(8-10-20)27(30)21(13-16-4-3-5-18(12-16)25(28)32-2)24(26(29)35-27)17-6-11-22-23(14-17)34-15-33-22/h3-12,14,30H,13,15H2,1-2H3
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n/an/a 8.5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057165
PNG
(3-Benzo[1,3]dioxol-5-yl-5-hydroxy-4-isoquinolin-1-...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1nccc2ccccc12)c1ccc2OCOc2c1
Show InChI InChI=1S/C28H21NO6/c1-32-20-9-7-19(8-10-20)28(31)22(15-23-21-5-3-2-4-17(21)12-13-29-23)26(27(30)35-28)18-6-11-24-25(14-18)34-16-33-24/h2-14,31H,15-16H2,1H3
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n/an/a 10n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057175
PNG
(3-Benzo[1,3]dioxol-5-yl-4-cyclopentylmethyl-5-hydr...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1CC1CCCC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C24H24O6/c1-27-18-9-7-17(8-10-18)24(26)19(12-15-4-2-3-5-15)22(23(25)30-24)16-6-11-20-21(13-16)29-14-28-20/h6-11,13,15,26H,2-5,12,14H2,1H3
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n/an/a 10n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin receptor, ET-A/ET-B


(Homo sapiens (Human))
BDBM50286613
PNG
(CHEMBL413825 | Cyclic (Gly1-Asp9) (Gly-Asn-Trp-His...)
Show SMILES C[C@@H](O)[C@H]1NC(=O)CNC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(O)=O)NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NC1=O
Show InChI InChI=1S/C103H115N23O23/c1-54-102(147)126-35-15-26-83(126)100(145)123-81(91(136)110-51-87(133)115-79(44-84(104)130)98(143)120-77(41-61-48-108-70-24-13-10-21-67(61)70)97(142)121-78(43-63-50-106-53-112-63)90(135)111-52-88(134)125-89(55(2)127)101(146)113-54)46-86(132)114-76(40-60-47-107-69-23-12-9-20-66(60)69)96(141)118-72(36-56-16-5-3-6-17-56)92(137)116-73(37-57-18-7-4-8-19-57)94(139)122-80(45-85(105)131)99(144)119-74(38-58-27-31-64(128)32-28-58)93(138)117-75(39-59-29-33-65(129)34-30-59)95(140)124-82(103(148)149)42-62-49-109-71-25-14-11-22-68(62)71/h3-14,16-25,27-34,47-50,53-55,72-83,89,107-109,127-129H,15,26,35-46,51-52H2,1-2H3,(H2,104,130)(H2,105,131)(H,106,112)(H,110,136)(H,111,135)(H,113,146)(H,114,132)(H,115,133)(H,116,137)(H,117,138)(H,118,141)(H,119,144)(H,120,143)(H,121,142)(H,122,139)(H,123,145)(H,124,140)(H,125,134)(H,148,149)/t54-,55+,72-,73-,74-,75-,76-,77-,78+,79+,80-,81-,82-,83+,89+/m0/s1
PDB

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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity in Chinese hamster ovary (CHO) cells stably transfected with human endothelin B (ETB) receptor


Bioorg Med Chem Lett 5: 621-626 (1995)


Article DOI: 10.1016/0960-894X(95)00084-7
BindingDB Entry DOI: 10.7270/Q27081DM
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057185
PNG
(CHEMBL273660 | Sodium; (Z)-3-benzyl-2-(7-methoxy-b...)
Show SMILES COc1ccc(cc1)C(=O)C(\Cc1ccccc1)=C(/C([O-])=O)c1cc2OCOc2c(OC)c1
Show InChI InChI=1S/C26H22O7/c1-30-19-10-8-17(9-11-19)24(27)20(12-16-6-4-3-5-7-16)23(26(28)29)18-13-21(31-2)25-22(14-18)32-15-33-25/h3-11,13-14H,12,15H2,1-2H3,(H,28,29)/p-1/b23-20-
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n/an/a 10n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Endothelin A receptor mediated (ET-1) release of arachidonic acid from rabbit renal artery vascular smooth muscle cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057180
PNG
(4-[4-Benzo[1,3]dioxol-5-yl-2-hydroxy-2-(4-methoxy-...)
Show SMILES COC(=O)c1ccc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C27H22O8/c1-31-20-10-8-19(9-11-20)27(30)21(13-16-3-5-17(6-4-16)25(28)32-2)24(26(29)35-27)18-7-12-22-23(14-18)34-15-33-22/h3-12,14,30H,13,15H2,1-2H3
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n/an/a 11n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057168
PNG
(3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-(3,4-dimethoxy-...)
Show SMILES COc1ccc(cc1OC)C1(O)OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H22O7/c1-29-20-11-9-18(14-22(20)30-2)26(28)19(12-16-6-4-3-5-7-16)24(25(27)33-26)17-8-10-21-23(13-17)32-15-31-21/h3-11,13-14,28H,12,15H2,1-2H3
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n/an/a 11n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057187
PNG
(3-Benzo[1,3]dioxol-5-yl-4-(2,3-dimethoxy-benzyl)-5...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cccc(OC)c1OC)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H24O8/c1-30-19-10-8-18(9-11-19)27(29)20(13-17-5-4-6-22(31-2)25(17)32-3)24(26(28)35-27)16-7-12-21-23(14-16)34-15-33-21/h4-12,14,29H,13,15H2,1-3H3
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n/an/a 11n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057190
PNG
(3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc(OC)c(OC)c1OC)c1ccc2OCOc2c1
Show InChI InChI=1S/C28H26O9/c1-31-19-9-7-18(8-10-19)28(30)20(13-17-6-12-22(32-2)26(34-4)25(17)33-3)24(27(29)37-28)16-5-11-21-23(14-16)36-15-35-21/h5-12,14,30H,13,15H2,1-4H3
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n/an/a 12n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50034270
PNG
(3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-hydroxy-5-(4-me...)
Show SMILES COc1ccc(cc1C)C1(O)OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H22O6/c1-16-12-19(9-11-21(16)29-2)26(28)20(13-17-6-4-3-5-7-17)24(25(27)32-26)18-8-10-22-23(14-18)31-15-30-22/h3-12,14,28H,13,15H2,1-2H3
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PubMed
n/an/a 12n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057209
PNG
(3-Benzo[1,3]dioxol-5-yl-4-cyclohexylmethyl-5-hydro...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1CC1CCCCC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C25H26O6/c1-28-19-10-8-18(9-11-19)25(27)20(13-16-5-3-2-4-6-16)23(24(26)31-25)17-7-12-21-22(14-17)30-15-29-21/h7-12,14,16,27H,2-6,13,15H2,1H3
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PubMed
n/an/a 13n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057210
PNG
(3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-(2,4-dimethoxy-...)
Show SMILES COc1ccc(c(OC)c1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H22O7/c1-29-18-9-10-19(22(14-18)30-2)26(28)20(12-16-6-4-3-5-7-16)24(25(27)33-26)17-8-11-21-23(13-17)32-15-31-21/h3-11,13-14,28H,12,15H2,1-2H3
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PubMed
n/an/a 13n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057211
PNG
(3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc2ccccc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H22O6/c1-32-23-11-9-22(10-12-23)29(31)24(15-18-6-7-19-4-2-3-5-20(19)14-18)27(28(30)35-29)21-8-13-25-26(16-21)34-17-33-25/h2-14,16,31H,15,17H2,1H3
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n/an/a 14n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50366421
PNG
(CHEMBL1791271)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)[C@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C50H65N7O10/c1-8-29(5)42(47(63)55-39(50(66)67)25-34-27-51-36-23-17-16-22-35(34)36)57-48(64)43(30(6)9-2)56-46(62)38(26-40(59)60)53-45(61)37(24-28(3)4)54-49(65)44(52-31(7)58)41(32-18-12-10-13-19-32)33-20-14-11-15-21-33/h10-23,27-30,37-39,41-44,51H,8-9,24-26H2,1-7H3,(H,52,58)(H,53,61)(H,54,65)(H,55,63)(H,56,62)(H,57,64)(H,59,60)(H,66,67)/t29-,30+,37-,38-,39-,42-,43-,44-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]endothelin-1 [ET-1] binding to endothelin A receptor (ETA) of rabbit renal artery vascular smooth muscle cells


Bioorg Med Chem Lett 5: 967-972 (1995)


Article DOI: 10.1016/0960-894X(95)00152-J
BindingDB Entry DOI: 10.7270/Q2MG7PZH
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057188
PNG
(3-Benzo[1,3]dioxol-5-yl-5-hydroxy-4-(7-methoxy-ben...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc2OCOc2c(OC)c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H22O9/c1-30-18-6-4-17(5-7-18)27(29)19(9-15-10-22(31-2)25-23(11-15)34-14-35-25)24(26(28)36-27)16-3-8-20-21(12-16)33-13-32-20/h3-8,10-12,29H,9,13-14H2,1-2H3
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PubMed
n/an/a 14n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057206
PNG
(3-Benzo[1,3]dioxol-5-yl-4-benzo[1,3]dioxol-5-ylmet...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc2OCOc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H20O8/c1-29-18-6-4-17(5-7-18)26(28)19(10-15-2-8-20-22(11-15)32-13-30-20)24(25(27)34-26)16-3-9-21-23(12-16)33-14-31-21/h2-9,11-12,28H,10,13-14H2,1H3
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PubMed
n/an/a 16n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057215
PNG
(3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cccc2ccccc12)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H22O6/c1-32-22-12-10-21(11-13-22)29(31)24(15-19-7-4-6-18-5-2-3-8-23(18)19)27(28(30)35-29)20-9-14-25-26(16-20)34-17-33-25/h2-14,16,31H,15,17H2,1H3
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PubMed
n/an/a 18n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057212
PNG
(3,5-Bis-benzo[1,3]dioxol-5-yl-4-benzyl-5-hydroxy-5...)
Show SMILES OC1(OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C25H18O7/c26-24-23(16-6-8-19-21(11-16)30-13-28-19)18(10-15-4-2-1-3-5-15)25(27,32-24)17-7-9-20-22(12-17)31-14-29-20/h1-9,11-12,27H,10,13-14H2
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PubMed
n/an/a 19n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057201
PNG
(3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-hydroxy-5-(3,4,...)
Show SMILES COc1cc(cc(OC)c1OC)C1(O)OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H24O8/c1-30-22-13-18(14-23(31-2)25(22)32-3)27(29)19(11-16-7-5-4-6-8-16)24(26(28)35-27)17-9-10-20-21(12-17)34-15-33-20/h4-10,12-14,29H,11,15H2,1-3H3
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n/an/a 25n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057183
PNG
(3-Benzo[1,3]dioxol-5-yl-4-(4-dimethylamino-benzyl)...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc(cc1)N(C)C)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H25NO6/c1-28(2)20-9-4-17(5-10-20)14-22-25(18-6-13-23-24(15-18)33-16-32-23)26(29)34-27(22,30)19-7-11-21(31-3)12-8-19/h4-13,15,30H,14,16H2,1-3H3
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n/an/a 28n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50057208
PNG
(3-Benzo[1,3]dioxol-5-yl-5-(4-methoxy-phenyl)-4-(3,...)
Show SMILES COc1ccc(cc1)C1OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C28H26O8/c1-30-19-8-5-17(6-9-19)26-20(11-16-12-23(31-2)27(33-4)24(13-16)32-3)25(28(29)36-26)18-7-10-21-22(14-18)35-15-34-21/h5-10,12-14,26H,11,15H2,1-4H3
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n/an/a 30n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned endothelin A receptor expressed in LTK-cells


J Med Chem 40: 1063-74 (1997)


Article DOI: 10.1021/jm9606507
BindingDB Entry DOI: 10.7270/Q27P8XG5
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50281565
PNG
((S)-3-[(R)-2-((R)-2-Acetylamino-3-phenyl-propionyl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C47H59N7O10/c1-6-27(3)40(45(61)52-38(47(63)64)24-32-26-48-34-21-15-14-20-33(32)34)54-46(62)41(28(4)7-2)53-44(60)37(25-39(56)57)51-43(59)36(23-31-18-12-9-13-19-31)50-42(58)35(49-29(5)55)22-30-16-10-8-11-17-30/h8-21,26-28,35-38,40-41,48H,6-7,22-25H2,1-5H3,(H,49,55)(H,50,58)(H,51,59)(H,52,61)(H,53,60)(H,54,62)(H,56,57)(H,63,64)/t27-,28-,35+,36+,37-,38-,40-,41-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-ET-1 from Endothelin B receptor of rat cerebellum


Bioorg Med Chem Lett 3: 497-502 (1993)


Article DOI: 10.1016/S0960-894X(01)81215-4
BindingDB Entry DOI: 10.7270/Q2M908MP
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50045240
PNG
((S)-2-[(S)-2-((2S,5S)-2-{(S)-2-[(S)-2-((R)-2-Acety...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C49H65N7O8/c1-8-30(5)42(47(61)54-41(49(63)64)27-35-28-50-37-23-17-16-22-36(35)37)56-48(62)43(31(6)9-2)55-46(60)40(26-34-20-14-11-15-21-34)53-44(58)38(24-29(3)4)52-45(59)39(51-32(7)57)25-33-18-12-10-13-19-33/h10-23,28-31,38-43,50H,8-9,24-27H2,1-7H3,(H,51,57)(H,52,59)(H,53,58)(H,54,61)(H,55,60)(H,56,62)(H,63,64)/t30-,31-,38-,39+,40-,41-,42-,43-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-ET-1 from Endothelin B receptor of rat cerebellum


Bioorg Med Chem Lett 3: 497-502 (1993)


Article DOI: 10.1016/S0960-894X(01)81215-4
BindingDB Entry DOI: 10.7270/Q2M908MP
More data for this
Ligand-Target Pair
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