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PubMed code 9089328

Compile data set for download or QSAR
Found 169 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Endothelin-1 receptor


(Homo sapiens (Human))		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 |t:7|
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 |c:14|
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))		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 |c:14|
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))		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 |c:15|
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))		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 |c:13|
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))		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))		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 |c:14|
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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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 |c:14|
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
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 |c:14|
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 |c:14|
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 |c:14|
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 |t:7|
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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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 |c:14|
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 |c:14|
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 |c:14|
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 |c:14|
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 |c:14|
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 |c:14|
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 |c:14|
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 |c:14|
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 |c:14|
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 |c:13|
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 |t:10|
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))		BDBM50057175
PNG
(3-Benzo[1,3]dioxol-5-yl-4-cyclopentylmethyl-5-hydr...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1CC1CCCC1)c1ccc2OCOc2c1 |c:14|
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-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 |c:14|
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))		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))		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 |c:16|
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))		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 |t:9|
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))		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 |c:14|
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 |c:14|
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 |c:15|
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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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 |c:14|
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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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 |c:16|
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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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 |c:14|
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))		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 |c:14|
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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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 |c:14|
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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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 |c:14|
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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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 |c:5|
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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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 |c:18|
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 |c:14|
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 |c:13|
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
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50057162
PNG
(3-Benzo[1,3]dioxol-5-yl-4-cycloheptylmethyl-5-hydr...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1CC1CCCCCC1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C26H28O6/c1-29-20-11-9-19(10-12-20)26(28)21(14-17-6-4-2-3-5-7-17)24(25(27)32-26)18-8-13-22-23(15-18)31-16-30-22/h8-13,15,17,28H,2-7,14,16H2,1H3
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n/an/a 35n/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))		BDBM50057198
PNG
(3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cccnc1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C24H19NO6/c1-28-18-7-5-17(6-8-18)24(27)19(11-15-3-2-10-25-13-15)22(23(26)31-24)16-4-9-20-21(12-16)30-14-29-20/h2-10,12-13,27H,11,14H2,1H3
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n/an/a 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))		BDBM50057203
PNG
(3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cccc(c1)C(F)(F)F)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C26H19F3O6/c1-32-19-8-6-17(7-9-19)25(31)20(12-15-3-2-4-18(11-15)26(27,28)29)23(24(30)35-25)16-5-10-21-22(13-16)34-14-33-21/h2-11,13,31H,12,14H2,1H3
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n/an/a 43n/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))		BDBM50057205
PNG
(4-Benzyl-3-(3,5-dimethoxy-phenyl)-5-hydroxy-5-(4-m...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1cc(OC)cc(OC)c1 |c:14|
Show InChI InChI=1S/C26H24O6/c1-29-20-11-9-19(10-12-20)26(28)23(13-17-7-5-4-6-8-17)24(25(27)32-26)18-14-21(30-2)16-22(15-18)31-3/h4-12,14-16,28H,13H2,1-3H3
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n/an/a 46n/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))		BDBM50057155
PNG
((Z)-2-Benzo[1,3]dioxol-5-yl-3-benzyl-4-(4-methoxy-...)
Show SMILES COc1ccc(cc1)C(=O)C(\Cc1ccccc1)=C(/C([O-])=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C25H20O6/c1-29-19-10-7-17(8-11-19)24(26)20(13-16-5-3-2-4-6-16)23(25(27)28)18-9-12-21-22(14-18)31-15-30-21/h2-12,14H,13,15H2,1H3,(H,27,28)/p-1/b23-20-
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n/an/a 49n/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))		BDBM50057170
PNG
(3-[4-Benzo[1,3]dioxol-5-yl-2-hydroxy-2-(4-methoxy-...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cccc(c1)C(O)=O)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C26H20O8/c1-31-19-8-6-18(7-9-19)26(30)20(12-15-3-2-4-17(11-15)24(27)28)23(25(29)34-26)16-5-10-21-22(13-16)33-14-32-21/h2-11,13,30H,12,14H2,1H3,(H,27,28)
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n/an/a 50n/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))		BDBM50034265
PNG
(3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc(C)cc1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C26H22O6/c1-16-3-5-17(6-4-16)13-21-24(18-7-12-22-23(14-18)31-15-30-22)25(27)32-26(21,28)19-8-10-20(29-2)11-9-19/h3-12,14,28H,13,15H2,1-2H3
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n/an/a 51n/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 type B


(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 68n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Endothelin B receptor mediated (ET-3) release of arachidonic acid from human cloned receptors expressed in CHO-K1 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))		BDBM50057172
PNG
(4-Benzyl-3-(3,4-dimethoxy-phenyl)-5-hydroxy-5-(4-m...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1ccc(OC)c(OC)c1 |c:14|
Show InChI InChI=1S/C26H24O6/c1-29-20-12-10-19(11-13-20)26(28)21(15-17-7-5-4-6-8-17)24(25(27)32-26)18-9-14-22(30-2)23(16-18)31-3/h4-14,16,28H,15H2,1-3H3
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n/an/a 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))		BDBM50057214
PNG
(3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cccc(c1)[N+]([O-])=O)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C25H19NO8/c1-31-19-8-6-17(7-9-19)25(28)20(12-15-3-2-4-18(11-15)26(29)30)23(24(27)34-25)16-5-10-21-22(13-16)33-14-32-21/h2-11,13,28H,12,14H2,1H3
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n/an/a 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))		BDBM50057157
PNG
(4-Benzyl-5-hydroxy-3-(3-methoxy-phenyl)-5-(4-metho...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1cccc(OC)c1 |c:14|
Show InChI InChI=1S/C25H22O5/c1-28-20-13-11-19(12-14-20)25(27)22(15-17-7-4-3-5-8-17)23(24(26)30-25)18-9-6-10-21(16-18)29-2/h3-14,16,27H,15H2,1-2H3
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n/an/a 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))		BDBM50034264
PNG
(3-Benzo[1,3]dioxol-5-yl-4-(4-chloro-benzyl)-5-hydr...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc(Cl)cc1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C25H19ClO6/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/h2-11,13,28H,12,14H2,1H3
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n/an/a 110n/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 type B


(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 |c:14|
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 120n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Endothelin B receptor mediated (ET-3) release of arachidonic acid from human cloned receptors / CHO-K1 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 type B


(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 130n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Endothelin B receptor mediated (ET-3) release of arachidonic acid from human cloned receptors expressed in CHO-K1 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))		BDBM50057216
PNG
(3-Benzo[1,3]dioxol-5-yl-4-(3,4-dichloro-benzyl)-5-...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc(Cl)c(Cl)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C25H18Cl2O6/c1-30-17-6-4-16(5-7-17)25(29)18(10-14-2-8-19(26)20(27)11-14)23(24(28)33-25)15-3-9-21-22(12-15)32-13-31-21/h2-9,11-12,29H,10,13H2,1H3
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n/an/a 150n/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))		BDBM50034266
PNG
(3-(3,4-Dichloro-phenyl)-5-hydroxy-4-(4-methoxy-ben...)
Show SMILES COc1ccc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccc(Cl)c(Cl)c2)cc1 |t:7|
Show InChI InChI=1S/C25H20Cl2O5/c1-30-18-8-3-15(4-9-18)13-20-23(16-5-12-21(26)22(27)14-16)24(28)32-25(20,29)17-6-10-19(31-2)11-7-17/h3-12,14,29H,13H2,1-2H3
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n/an/a 170n/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))		BDBM50057151
PNG
(3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-hydroxy-5-(4-me...)
Show SMILES CSc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C25H20O5S/c1-31-19-10-8-18(9-11-19)25(27)20(13-16-5-3-2-4-6-16)23(24(26)30-25)17-7-12-21-22(14-17)29-15-28-21/h2-12,14,27H,13,15H2,1H3
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n/an/a 170n/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 type B


(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 |c:13|
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 180n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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))		BDBM50034268
PNG
(5-Hydroxy-4-(4-methoxy-benzyl)-3,5-bis-(4-methoxy-...)
Show SMILES COc1ccc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 |t:7|
Show InChI InChI=1S/C26H24O6/c1-29-20-10-4-17(5-11-20)16-23-24(18-6-12-21(30-2)13-7-18)25(27)32-26(23,28)19-8-14-22(31-3)15-9-19/h4-15,28H,16H2,1-3H3
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n/an/a 190n/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))		BDBM50057177
PNG
(3-Benzo[1,3]dioxol-5-yl-4-biphenyl-4-ylmethyl-5-hy...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc(cc1)-c1ccccc1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C31H24O6/c1-34-25-14-12-24(13-15-25)31(33)26(17-20-7-9-22(10-8-20)21-5-3-2-4-6-21)29(30(32)37-31)23-11-16-27-28(18-23)36-19-35-27/h2-16,18,33H,17,19H2,1H3
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n/an/a 200n/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 type B


(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 |c:14|
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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n/an/a 225n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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))		BDBM50057152
PNG
(4-Benzyl-3-(2,5-dimethoxy-phenyl)-5-hydroxy-5-(4-m...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1cc(OC)ccc1OC |c:14|
Show InChI InChI=1S/C26H24O6/c1-29-19-11-9-18(10-12-19)26(28)22(15-17-7-5-4-6-8-17)24(25(27)32-26)21-16-20(30-2)13-14-23(21)31-3/h4-14,16,28H,15H2,1-3H3
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n/an/a 240n/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 type B


(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 |c:15|
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 240n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(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 |c:14|
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>250n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(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 |c:14|
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 260n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(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 |c:14|
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 260n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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))		BDBM50057174
PNG
(4-Benzyl-3-(2,4-dimethoxy-phenyl)-5-hydroxy-5-(4-m...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1ccc(OC)cc1OC |c:14|
Show InChI InChI=1S/C26H24O6/c1-29-19-11-9-18(10-12-19)26(28)22(15-17-7-5-4-6-8-17)24(25(27)32-26)21-14-13-20(30-2)16-23(21)31-3/h4-14,16,28H,15H2,1-3H3
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n/an/a 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))		BDBM50057176
PNG
(3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-methoxy-5-(4-me...)
Show SMILES COc1ccc(cc1)C1(OC)OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1 |c:15|
Show InChI InChI=1S/C26H22O6/c1-28-20-11-9-19(10-12-20)26(29-2)21(14-17-6-4-3-5-7-17)24(25(27)32-26)18-8-13-22-23(15-18)31-16-30-22/h3-13,15H,14,16H2,1-2H3
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n/an/a 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))		BDBM50057196
PNG
(3-Benzo[1,3]dioxol-5-yl-4-ethyl-5-hydroxy-5-(4-met...)
Show SMILES CCC1=C(C(=O)OC1(O)c1ccc(OC)cc1)c1ccc2OCOc2c1 |t:2|
Show InChI InChI=1S/C20H18O6/c1-3-15-18(12-4-9-16-17(10-12)25-11-24-16)19(21)26-20(15,22)13-5-7-14(23-2)8-6-13/h4-10,22H,3,11H2,1-2H3
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n/an/a 320n/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))		BDBM50034260
PNG
(3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-(3,4-dichloro-p...)
Show SMILES OC1(OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1)c1ccc(Cl)c(Cl)c1 |c:5|
Show InChI InChI=1S/C24H16Cl2O5/c25-18-8-7-16(12-19(18)26)24(28)17(10-14-4-2-1-3-5-14)22(23(27)31-24)15-6-9-20-21(11-15)30-13-29-20/h1-9,11-12,28H,10,13H2
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n/an/a 400n/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))		BDBM50057182
PNG
(4-(4-Benzo[1,3]dioxol-5-yl-3-benzyl-2-hydroxy-5-ox...)
Show SMILES COC(=O)c1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1 |c:16|
Show InChI InChI=1S/C26H20O7/c1-30-24(27)17-7-10-19(11-8-17)26(29)20(13-16-5-3-2-4-6-16)23(25(28)33-26)18-9-12-21-22(14-18)32-15-31-21/h2-12,14,29H,13,15H2,1H3
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n/an/a 400n/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))		BDBM50034257
PNG
(3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-(4-chloro-pheny...)
Show SMILES OC1(OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1)c1ccc(Cl)cc1 |c:5|
Show InChI InChI=1S/C24H17ClO5/c25-18-9-7-17(8-10-18)24(27)19(12-15-4-2-1-3-5-15)22(23(26)30-24)16-6-11-20-21(13-16)29-14-28-20/h1-11,13,27H,12,14H2
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n/an/a 430n/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 type B


(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 |t:7|
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 445n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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))		BDBM50057173
PNG
(3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-hydroxy-5-(2-me...)
Show SMILES COc1ccccc1C1(O)OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C25H20O6/c1-28-20-10-6-5-9-18(20)25(27)19(13-16-7-3-2-4-8-16)23(24(26)31-25)17-11-12-21-22(14-17)30-15-29-21/h2-12,14,27H,13,15H2,1H3
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n/an/a 480n/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))		BDBM50057204
PNG
(3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-hydroxy-5-(3-me...)
Show SMILES COc1cccc(c1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C25H20O6/c1-28-19-9-5-8-18(14-19)25(27)20(12-16-6-3-2-4-7-16)23(24(26)31-25)17-10-11-21-22(13-17)30-15-29-21/h2-11,13-14,27H,12,15H2,1H3
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n/an/a 500n/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))		BDBM50034262
PNG
(5-Hydroxy-4-(4-methoxy-benzyl)-5-(4-methoxy-phenyl...)
Show SMILES COc1ccc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccc(C)cc2)cc1 |t:7|
Show InChI InChI=1S/C26H24O5/c1-17-4-8-19(9-5-17)24-23(16-18-6-12-21(29-2)13-7-18)26(28,31-25(24)27)20-10-14-22(30-3)15-11-20/h4-15,28H,16H2,1-3H3
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n/an/a 570n/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))		BDBM50034255
PNG
(3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-hydroxy-5-pheny...)
Show SMILES OC1(OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1)c1ccccc1 |c:5|
Show InChI InChI=1S/C24H18O5/c25-23-22(17-11-12-20-21(14-17)28-15-27-20)19(13-16-7-3-1-4-8-16)24(26,29-23)18-9-5-2-6-10-18/h1-12,14,26H,13,15H2
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n/an/a 600n/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))		BDBM50057197
PNG
(3-Benzo[1,3]dioxol-5-yl-5-methoxy-5-(4-methoxy-phe...)
Show SMILES COc1ccc(cc1)C1(OC)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1 |c:15|
Show InChI InChI=1S/C29H28O9/c1-31-20-9-7-19(8-10-20)29(35-5)21(12-17-13-24(32-2)27(34-4)25(14-17)33-3)26(28(30)38-29)18-6-11-22-23(15-18)37-16-36-22/h6-11,13-15H,12,16H2,1-5H3
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n/an/a 600n/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 type B


(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 |c:14|
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 630n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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))		BDBM50057186
PNG
(3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-(4-ethyl-phenyl...)
Show SMILES CCc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C26H22O5/c1-2-17-8-11-20(12-9-17)26(28)21(14-18-6-4-3-5-7-18)24(25(27)31-26)19-10-13-22-23(15-19)30-16-29-22/h3-13,15,28H,2,14,16H2,1H3
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n/an/a 630n/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 type B


(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 |c:14|
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 640n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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))		BDBM50034254
PNG
(3-(4-Chloro-phenyl)-5-hydroxy-4-(4-methoxy-benzyl)...)
Show SMILES COc1ccc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccc(Cl)cc2)cc1 |t:7|
Show InChI InChI=1S/C25H21ClO5/c1-29-20-11-3-16(4-12-20)15-22-23(17-5-9-19(26)10-6-17)24(27)31-25(22,28)18-7-13-21(30-2)14-8-18/h3-14,28H,15H2,1-2H3
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n/an/a 700n/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))		BDBM50057158
PNG
(3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-(4-methoxy-phen...)
Show SMILES COc1ccc(cc1)C1OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1 |c:13|
Show InChI InChI=1S/C25H20O5/c1-27-19-10-7-17(8-11-19)24-20(13-16-5-3-2-4-6-16)23(25(26)30-24)18-9-12-21-22(14-18)29-15-28-21/h2-12,14,24H,13,15H2,1H3
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n/an/a 700n/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 type B


(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 |c:14|
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 760n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(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 |c:14|
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 780n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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))		BDBM50057171
PNG
(3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc(cc1)[N+]([O-])=O)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C25H19NO8/c1-31-19-9-5-17(6-10-19)25(28)20(12-15-2-7-18(8-3-15)26(29)30)23(24(27)34-25)16-4-11-21-22(13-16)33-14-32-21/h2-11,13,28H,12,14H2,1H3
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n/an/a 800n/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 type B


(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 |c:14|
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 850n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(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 |c:14|
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 880n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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))		BDBM50057159
PNG
(3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-(4-benzyloxy-ph...)
Show SMILES OC1(OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1)c1ccc(OCc2ccccc2)cc1 |c:5|
Show InChI InChI=1S/C31H24O6/c32-30-29(23-11-16-27-28(18-23)36-20-35-27)26(17-21-7-3-1-4-8-21)31(33,37-30)24-12-14-25(15-13-24)34-19-22-9-5-2-6-10-22/h1-16,18,33H,17,19-20H2
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n/an/a 950n/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 type B


(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 |c:14|
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 950n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(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 |c:14|
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 1.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(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 |c:14|
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>1.14E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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))		BDBM50057193
PNG
(3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-hydroxy-5-(4-is...)
Show SMILES CC(C)Oc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1 |c:16|
Show InChI InChI=1S/C27H24O6/c1-17(2)32-21-11-9-20(10-12-21)27(29)22(14-18-6-4-3-5-7-18)25(26(28)33-27)19-8-13-23-24(15-19)31-16-30-23/h3-13,15,17,29H,14,16H2,1-2H3
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n/an/a 1.15E+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))		BDBM50057161
PNG
(4-Benzyl-5-hydroxy-5-(4-methoxy-phenyl)-3-(3,4,5-t...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1cc(OC)c(OC)c(OC)c1 |c:14|
Show InChI InChI=1S/C27H26O7/c1-30-20-12-10-19(11-13-20)27(29)21(14-17-8-6-5-7-9-17)24(26(28)34-27)18-15-22(31-2)25(33-4)23(16-18)32-3/h5-13,15-16,29H,14H2,1-4H3
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n/an/a 1.30E+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 receptor type B


(Homo sapiens (Human))		BDBM50057162
PNG
(3-Benzo[1,3]dioxol-5-yl-4-cycloheptylmethyl-5-hydr...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1CC1CCCCCC1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C26H28O6/c1-29-20-11-9-19(10-12-20)26(28)21(14-17-6-4-2-3-5-7-17)24(25(27)32-26)18-8-13-22-23(15-18)31-16-30-22/h8-13,15,17,28H,2-7,14,16H2,1H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(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 |c:13|
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 1.41E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(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 |c:14|
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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n/an/a 1.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(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 |t:7|
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 1.55E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(Homo sapiens (Human))		BDBM50057161
PNG
(4-Benzyl-5-hydroxy-5-(4-methoxy-phenyl)-3-(3,4,5-t...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1cc(OC)c(OC)c(OC)c1 |c:14|
Show InChI InChI=1S/C27H26O7/c1-30-20-12-10-19(11-13-20)27(29)21(14-17-8-6-5-7-9-17)24(26(28)34-27)18-15-22(31-2)25(33-4)23(16-18)32-3/h5-13,15-16,29H,14H2,1-4H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(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 |c:14|
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 1.60E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(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 |c:15|
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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n/an/a 1.75E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(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 |c:14|
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 1.80E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(Homo sapiens (Human))		BDBM50057177
PNG
(3-Benzo[1,3]dioxol-5-yl-4-biphenyl-4-ylmethyl-5-hy...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc(cc1)-c1ccccc1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C31H24O6/c1-34-25-14-12-24(13-15-25)31(33)26(17-20-7-9-22(10-8-20)21-5-3-2-4-6-21)29(30(32)37-31)23-11-16-27-28(18-23)36-19-35-27/h2-16,18,33H,17,19H2,1H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(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 1.90E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Endothelin B receptor mediated (ET-3) release of arachidonic acid from human cloned receptors expressed in CHO-K1 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 type B


(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 |t:9|
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 2.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(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 |c:5|
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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n/an/a 2.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(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 |c:14|
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 2.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(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 |c:14|
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 2.20E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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))		BDBM50034261
PNG
(5-Hydroxy-4-(4-methoxy-benzyl)-5-(4-methoxy-phenyl...)
Show SMILES COc1ccc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccccc2)cc1 |t:7|
Show InChI InChI=1S/C25H22O5/c1-28-20-12-8-17(9-13-20)16-22-23(18-6-4-3-5-7-18)24(26)30-25(22,27)19-10-14-21(29-2)15-11-19/h3-15,27H,16H2,1-2H3
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n/an/a 2.20E+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 receptor type B


(Homo sapiens (Human))		BDBM50057198
PNG
(3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cccnc1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C24H19NO6/c1-28-18-7-5-17(6-8-18)24(27)19(11-15-3-2-10-25-13-15)22(23(26)31-24)16-4-9-20-21(12-16)30-14-29-20/h2-10,12-13,27H,11,14H2,1H3
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n/an/a>2.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(Homo sapiens (Human))		BDBM50034265
PNG
(3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc(C)cc1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C26H22O6/c1-16-3-5-17(6-4-16)13-21-24(18-7-12-22-23(14-18)31-15-30-22)25(27)32-26(21,28)19-8-10-20(29-2)11-9-19/h3-12,14,28H,13,15H2,1-2H3
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n/an/a>2.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(Homo sapiens (Human))		BDBM50057195
PNG
(4-(4-Benzo[1,3]dioxol-5-yl-3-benzyl-2-hydroxy-5-ox...)
Show SMILES OC(=O)c1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1 |c:15|
Show InChI InChI=1S/C25H18O7/c26-23(27)16-6-9-18(10-7-16)25(29)19(12-15-4-2-1-3-5-15)22(24(28)32-25)17-8-11-20-21(13-17)31-14-30-20/h1-11,13,29H,12,14H2,(H,26,27)
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n/an/a>2.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(Homo sapiens (Human))		BDBM50034261
PNG
(5-Hydroxy-4-(4-methoxy-benzyl)-5-(4-methoxy-phenyl...)
Show SMILES COc1ccc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccccc2)cc1 |t:7|
Show InChI InChI=1S/C25H22O5/c1-28-20-12-8-17(9-13-20)16-22-23(18-6-4-3-5-7-18)24(26)30-25(22,27)19-10-14-21(29-2)15-11-19/h3-15,27H,16H2,1-2H3
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n/an/a>2.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(Homo sapiens (Human))		BDBM50057170
PNG
(3-[4-Benzo[1,3]dioxol-5-yl-2-hydroxy-2-(4-methoxy-...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cccc(c1)C(O)=O)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C26H20O8/c1-31-19-8-6-18(7-9-19)26(30)20(12-15-3-2-4-17(11-15)24(27)28)23(25(29)34-26)16-5-10-21-22(13-16)33-14-32-21/h2-11,13,30H,12,14H2,1H3,(H,27,28)
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n/an/a>2.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(Homo sapiens (Human))		BDBM50057152
PNG
(4-Benzyl-3-(2,5-dimethoxy-phenyl)-5-hydroxy-5-(4-m...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1cc(OC)ccc1OC |c:14|
Show InChI InChI=1S/C26H24O6/c1-29-19-11-9-18(10-12-19)26(28)22(15-17-7-5-4-6-8-17)24(25(27)32-26)21-16-20(30-2)13-14-23(21)31-3/h4-14,16,28H,15H2,1-3H3
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n/an/a>2.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(Homo sapiens (Human))		BDBM50057158
PNG
(3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-(4-methoxy-phen...)
Show SMILES COc1ccc(cc1)C1OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1 |c:13|
Show InChI InChI=1S/C25H20O5/c1-27-19-10-7-17(8-11-19)24-20(13-16-5-3-2-4-6-16)23(25(26)30-24)18-9-12-21-22(14-18)29-15-28-21/h2-12,14,24H,13,15H2,1H3
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n/an/a>2.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(Homo sapiens (Human))		BDBM50034262
PNG
(5-Hydroxy-4-(4-methoxy-benzyl)-5-(4-methoxy-phenyl...)
Show SMILES COc1ccc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccc(C)cc2)cc1 |t:7|
Show InChI InChI=1S/C26H24O5/c1-17-4-8-19(9-5-17)24-23(16-18-6-12-21(29-2)13-7-18)26(28,31-25(24)27)20-10-14-22(30-3)15-11-20/h4-15,28H,16H2,1-3H3
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n/an/a>2.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(Homo sapiens (Human))		BDBM50034264
PNG
(3-Benzo[1,3]dioxol-5-yl-4-(4-chloro-benzyl)-5-hydr...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc(Cl)cc1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C25H19ClO6/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/h2-11,13,28H,12,14H2,1H3
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n/an/a>2.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(Homo sapiens (Human))		BDBM50057173
PNG
(3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-hydroxy-5-(2-me...)
Show SMILES COc1ccccc1C1(O)OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C25H20O6/c1-28-20-10-6-5-9-18(20)25(27)19(13-16-7-3-2-4-8-16)23(24(26)31-25)17-11-12-21-22(14-17)30-15-29-21/h2-12,14,27H,13,15H2,1H3
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n/an/a>2.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(Homo sapiens (Human))		BDBM50057186
PNG
(3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-(4-ethyl-phenyl...)
Show SMILES CCc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C26H22O5/c1-2-17-8-11-20(12-9-17)26(28)21(14-18-6-4-3-5-7-18)24(25(27)31-26)19-10-13-22-23(15-19)30-16-29-22/h3-13,15,28H,2,14,16H2,1H3
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n/an/a>2.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(Homo sapiens (Human))		BDBM50057203
PNG
(3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cccc(c1)C(F)(F)F)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C26H19F3O6/c1-32-19-8-6-17(7-9-19)25(31)20(12-15-3-2-4-18(11-15)26(27,28)29)23(24(30)35-25)16-5-10-21-22(13-16)34-14-33-21/h2-11,13,31H,12,14H2,1H3
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n/an/a>2.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(Homo sapiens (Human))		BDBM50057216
PNG
(3-Benzo[1,3]dioxol-5-yl-4-(3,4-dichloro-benzyl)-5-...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc(Cl)c(Cl)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C25H18Cl2O6/c1-30-17-6-4-16(5-7-17)25(29)18(10-14-2-8-19(26)20(27)11-14)23(24(28)33-25)15-3-9-21-22(12-15)32-13-31-21/h2-9,11-12,29H,10,13H2,1H3
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n/an/a>2.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(Homo sapiens (Human))		BDBM50057197
PNG
(3-Benzo[1,3]dioxol-5-yl-5-methoxy-5-(4-methoxy-phe...)
Show SMILES COc1ccc(cc1)C1(OC)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1 |c:15|
Show InChI InChI=1S/C29H28O9/c1-31-20-9-7-19(8-10-20)29(35-5)21(12-17-13-24(32-2)27(34-4)25(14-17)33-3)26(28(30)38-29)18-6-11-22-23(15-18)37-16-36-22/h6-11,13-15H,12,16H2,1-5H3
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n/an/a>2.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(Homo sapiens (Human))		BDBM50057182
PNG
(4-(4-Benzo[1,3]dioxol-5-yl-3-benzyl-2-hydroxy-5-ox...)
Show SMILES COC(=O)c1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1 |c:16|
Show InChI InChI=1S/C26H20O7/c1-30-24(27)17-7-10-19(11-8-17)26(29)20(13-16-5-3-2-4-6-16)23(25(28)33-26)18-9-12-21-22(14-18)32-15-31-21/h2-12,14,29H,13,15H2,1H3
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n/an/a>2.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(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 |c:14|
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>2.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(Homo sapiens (Human))		BDBM50034254
PNG
(3-(4-Chloro-phenyl)-5-hydroxy-4-(4-methoxy-benzyl)...)
Show SMILES COc1ccc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccc(Cl)cc2)cc1 |t:7|
Show InChI InChI=1S/C25H21ClO5/c1-29-20-11-3-16(4-12-20)15-22-23(17-5-9-19(26)10-6-17)24(27)31-25(22,28)18-7-13-21(30-2)14-8-18/h3-14,28H,15H2,1-2H3
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n/an/a>2.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(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 |c:14|
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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n/an/a>2.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(Homo sapiens (Human))		BDBM50057151
PNG
(3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-hydroxy-5-(4-me...)
Show SMILES CSc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C25H20O5S/c1-31-19-10-8-18(9-11-19)25(27)20(13-16-5-3-2-4-6-16)23(24(26)30-25)17-7-12-21-22(14-17)29-15-28-21/h2-12,14,27H,13,15H2,1H3
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n/an/a>2.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(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 |c:16|
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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n/an/a>2.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(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 |c:14|
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>2.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(Homo sapiens (Human))		BDBM50034266
PNG
(3-(3,4-Dichloro-phenyl)-5-hydroxy-4-(4-methoxy-ben...)
Show SMILES COc1ccc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccc(Cl)c(Cl)c2)cc1 |t:7|
Show InChI InChI=1S/C25H20Cl2O5/c1-30-18-8-3-15(4-9-18)13-20-23(16-5-12-21(26)22(27)14-16)24(28)32-25(20,29)17-6-10-19(31-2)11-7-17/h3-12,14,29H,13H2,1-2H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(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 |c:14|
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 3.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(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 |c:14|
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 3.20E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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))		BDBM50034257
PNG
(3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-(4-chloro-pheny...)
Show SMILES OC1(OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1)c1ccc(Cl)cc1 |c:5|
Show InChI InChI=1S/C24H17ClO5/c25-18-9-7-17(8-10-18)24(27)19(12-15-4-2-1-3-5-15)22(23(26)30-24)16-6-11-20-21(13-16)29-14-28-20/h1-11,13,27H,12,14H2
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n/an/a 3.80E+3n/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 receptor type B


(Homo sapiens (Human))		BDBM50057172
PNG
(4-Benzyl-3-(3,4-dimethoxy-phenyl)-5-hydroxy-5-(4-m...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1ccc(OC)c(OC)c1 |c:14|
Show InChI InChI=1S/C26H24O6/c1-29-20-12-10-19(11-13-20)26(28)21(15-17-7-5-4-6-8-17)24(25(27)32-26)18-9-14-22(30-2)23(16-18)31-3/h4-14,16,28H,15H2,1-3H3
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n/an/a 3.90E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(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 |c:18|
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 4.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(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 |c:14|
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 4.55E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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))		BDBM50034258
PNG
(3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-hydroxy-5-p-tol...)
Show SMILES Cc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1 |c:13|
Show InChI InChI=1S/C25H20O5/c1-16-7-10-19(11-8-16)25(27)20(13-17-5-3-2-4-6-17)23(24(26)30-25)18-9-12-21-22(14-18)29-15-28-21/h2-12,14,27H,13,15H2,1H3
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n/an/a 4.90E+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 receptor type B


(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 5.10E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Endothelin B receptor mediated (ET-3) release of arachidonic acid from human cloned receptors expressed in CHO-K1 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 type B


(Homo sapiens (Human))		BDBM50057205
PNG
(4-Benzyl-3-(3,5-dimethoxy-phenyl)-5-hydroxy-5-(4-m...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1cc(OC)cc(OC)c1 |c:14|
Show InChI InChI=1S/C26H24O6/c1-29-20-11-9-19(10-12-20)26(28)23(13-17-7-5-4-6-8-17)24(25(27)32-26)18-14-21(30-2)16-22(15-18)31-3/h4-12,14-16,28H,13H2,1-3H3
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n/an/a 5.20E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(Homo sapiens (Human))		BDBM50057159
PNG
(3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-(4-benzyloxy-ph...)
Show SMILES OC1(OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1)c1ccc(OCc2ccccc2)cc1 |c:5|
Show InChI InChI=1S/C31H24O6/c32-30-29(23-11-16-27-28(18-23)36-20-35-27)26(17-21-7-3-1-4-8-21)31(33,37-30)24-12-14-25(15-13-24)34-19-22-9-5-2-6-10-22/h1-16,18,33H,17,19-20H2
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n/an/a 5.40E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(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 |t:10|
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 6.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(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 8.20E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Endothelin B receptor mediated (ET-3) release of arachidonic acid from human cloned receptors expressed in CHO-K1 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 type B


(Homo sapiens (Human))		BDBM50034268
PNG
(5-Hydroxy-4-(4-methoxy-benzyl)-3,5-bis-(4-methoxy-...)
Show SMILES COc1ccc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 |t:7|
Show InChI InChI=1S/C26H24O6/c1-29-20-10-4-17(5-11-20)16-23-24(18-6-12-21(30-2)13-7-18)25(27)32-26(23,28)19-8-14-22(31-3)15-9-19/h4-15,28H,16H2,1-3H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(Homo sapiens (Human))		BDBM50057156
PNG
(3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cccc2c1CCc1ccccc1C2=O)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C34H26O7/c1-38-24-13-11-23(12-14-24)34(37)28(31(33(36)41-34)22-10-16-29-30(18-22)40-19-39-29)17-21-6-4-8-27-25(21)15-9-20-5-2-3-7-26(20)32(27)35/h2-8,10-14,16,18,37H,9,15,17,19H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(Homo sapiens (Human))		BDBM50057193
PNG
(3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-hydroxy-5-(4-is...)
Show SMILES CC(C)Oc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1 |c:16|
Show InChI InChI=1S/C27H24O6/c1-17(2)32-21-11-9-20(10-12-21)27(29)22(14-18-6-4-3-5-7-18)25(26(28)33-27)19-8-13-23-24(15-19)31-16-30-23/h3-13,15,17,29H,14,16H2,1-2H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(Homo sapiens (Human))		BDBM50057157
PNG
(4-Benzyl-5-hydroxy-3-(3-methoxy-phenyl)-5-(4-metho...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1cccc(OC)c1 |c:14|
Show InChI InChI=1S/C25H22O5/c1-28-20-13-11-19(12-14-20)25(27)22(15-17-7-4-3-5-8-17)23(24(26)30-25)18-9-6-10-21(16-18)29-2/h3-14,16,27H,15H2,1-2H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(Homo sapiens (Human))		BDBM50057196
PNG
(3-Benzo[1,3]dioxol-5-yl-4-ethyl-5-hydroxy-5-(4-met...)
Show SMILES CCC1=C(C(=O)OC1(O)c1ccc(OC)cc1)c1ccc2OCOc2c1 |t:2|
Show InChI InChI=1S/C20H18O6/c1-3-15-18(12-4-9-16-17(10-12)25-11-24-16)19(21)26-20(15,22)13-5-7-14(23-2)8-6-13/h4-10,22H,3,11H2,1-2H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(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 1.57E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Endothelin B receptor mediated (ET-3) release of arachidonic acid from human cloned receptors expressed in CHO-K1 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 type B


(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 |c:14|
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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n/an/a 1.60E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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))		BDBM50057156
PNG
(3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cccc2c1CCc1ccccc1C2=O)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C34H26O7/c1-38-24-13-11-23(12-14-24)34(37)28(31(33(36)41-34)22-10-16-29-30(18-22)40-19-39-29)17-21-6-4-8-27-25(21)15-9-20-5-2-3-7-26(20)32(27)35/h2-8,10-14,16,18,37H,9,15,17,19H2,1H3
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n/an/a 1.60E+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 receptor type B


(Homo sapiens (Human))		BDBM50057171
PNG
(3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc(cc1)[N+]([O-])=O)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C25H19NO8/c1-31-19-9-5-17(6-10-19)25(28)20(12-15-2-7-18(8-3-15)26(29)30)23(24(27)34-25)16-4-11-21-22(13-16)33-14-32-21/h2-11,13,28H,12,14H2,1H3
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n/an/a 1.70E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(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 |c:16|
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 1.80E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(Homo sapiens (Human))		BDBM50057204
PNG
(3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-hydroxy-5-(3-me...)
Show SMILES COc1cccc(c1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C25H20O6/c1-28-19-9-5-8-18(14-19)25(27)20(12-16-6-3-2-4-7-16)23(24(26)31-25)17-10-11-21-22(13-17)30-15-29-21/h2-11,13-14,27H,12,15H2,1H3
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n/an/a 1.80E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(Homo sapiens (Human))		BDBM50057155
PNG
((Z)-2-Benzo[1,3]dioxol-5-yl-3-benzyl-4-(4-methoxy-...)
Show SMILES COc1ccc(cc1)C(=O)C(\Cc1ccccc1)=C(/C([O-])=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C25H20O6/c1-29-19-10-7-17(8-11-19)24(26)20(13-16-5-3-2-4-6-16)23(25(27)28)18-9-12-21-22(14-18)31-15-30-21/h2-12,14H,13,15H2,1H3,(H,27,28)/p-1/b23-20-
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n/an/a 2.20E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Endothelin B receptor mediated (ET-3) release of arachidonic acid from human cloned receptors expressed in CHO-K1 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))		BDBM50057195
PNG
(4-(4-Benzo[1,3]dioxol-5-yl-3-benzyl-2-hydroxy-5-ox...)
Show SMILES OC(=O)c1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1 |c:15|
Show InChI InChI=1S/C25H18O7/c26-23(27)16-6-9-18(10-7-16)25(29)19(12-15-4-2-1-3-5-15)22(24(28)32-25)17-8-11-20-21(13-17)31-14-30-20/h1-11,13,29H,12,14H2,(H,26,27)
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n/an/a>2.50E+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 receptor type B


(Homo sapiens (Human))		BDBM50057174
PNG
(4-Benzyl-3-(2,4-dimethoxy-phenyl)-5-hydroxy-5-(4-m...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1ccc(OC)cc1OC |c:14|
Show InChI InChI=1S/C26H24O6/c1-29-19-11-9-18(10-12-19)26(28)22(15-17-7-5-4-6-8-17)24(25(27)32-26)21-14-13-20(30-2)16-23(21)31-3/h4-14,16,28H,15H2,1-3H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(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 |c:13|
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>2.50E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(Homo sapiens (Human))		BDBM50034258
PNG
(3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-hydroxy-5-p-tol...)
Show SMILES Cc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1 |c:13|
Show InChI InChI=1S/C25H20O5/c1-16-7-10-19(11-8-16)25(27)20(13-17-5-3-2-4-6-17)23(24(26)30-25)18-9-12-21-22(14-18)29-15-28-21/h2-12,14,27H,13,15H2,1H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(Homo sapiens (Human))		BDBM50034260
PNG
(3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-(3,4-dichloro-p...)
Show SMILES OC1(OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1)c1ccc(Cl)c(Cl)c1 |c:5|
Show InChI InChI=1S/C24H16Cl2O5/c25-18-8-7-16(12-19(18)26)24(28)17(10-14-4-2-1-3-5-14)22(23(27)31-24)15-6-9-20-21(11-15)30-13-29-20/h1-9,11-12,28H,10,13H2
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n/an/a>2.50E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(Homo sapiens (Human))		BDBM50057176
PNG
(3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-methoxy-5-(4-me...)
Show SMILES COc1ccc(cc1)C1(OC)OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1 |c:15|
Show InChI InChI=1S/C26H22O6/c1-28-20-11-9-19(10-12-20)26(29-2)21(14-17-6-4-3-5-7-17)24(25(27)32-26)18-8-13-22-23(15-18)31-16-30-22/h3-13,15H,14,16H2,1-2H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(Homo sapiens (Human))		BDBM50057214
PNG
(3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cccc(c1)[N+]([O-])=O)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C25H19NO8/c1-31-19-8-6-17(7-9-19)25(28)20(12-15-3-2-4-18(11-15)26(29)30)23(24(27)34-25)16-5-10-21-22(13-16)33-14-32-21/h2-11,13,28H,12,14H2,1H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(Homo sapiens (Human))		BDBM50034257
PNG
(3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-(4-chloro-pheny...)
Show SMILES OC1(OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1)c1ccc(Cl)cc1 |c:5|
Show InChI InChI=1S/C24H17ClO5/c25-18-9-7-17(8-10-18)24(27)19(12-15-4-2-1-3-5-15)22(23(26)30-24)16-6-11-20-21(13-16)29-14-28-20/h1-11,13,27H,12,14H2
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n/an/a 2.70E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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 type B


(Homo sapiens (Human))		BDBM50034255
PNG
(3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-hydroxy-5-pheny...)
Show SMILES OC1(OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1)c1ccccc1 |c:5|
Show InChI InChI=1S/C24H18O5/c25-23-22(17-11-12-20-21(14-17)28-15-27-20)19(13-16-7-3-1-4-8-16)24(26,29-23)18-9-5-2-6-10-18/h1-12,14,26H,13,15H2
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n/an/a 3.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 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
* indicates data uncertainty>20%