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PubMed code 10479299

Compile data set for download or QSAR
Found 55 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))		BDBM50051007
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbam...)
Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1
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n/an/a 0.0340n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125I]-ET-1 from the human endothelin A receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50080622
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(C(C)C)c1ccccc1)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C31H34N2O6/c1-19(2)29(20-7-5-4-6-8-20)32-27(34)17-33-16-24(22-11-14-25-26(15-22)39-18-38-25)28(31(35)36)30(33)21-9-12-23(37-3)13-10-21/h4-15,19,24,28-30H,16-18H2,1-3H3,(H,32,34)(H,35,36)/t24-,28-,29?,30+/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125I]-ET-1 from the human endothelin A receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50080623
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,2-dimethy...)
Show SMILES CC(C)OCCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1)C(C)(C)C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C36H44N2O7/c1-23(2)42-17-18-43-27-14-11-24(12-15-27)33-32(35(40)41)28(26-13-16-29-30(19-26)45-22-44-29)20-38(33)21-31(39)37-34(36(3,4)5)25-9-7-6-8-10-25/h6-16,19,23,28,32-34H,17-18,20-22H2,1-5H3,(H,37,39)(H,40,41)/t28-,32-,33+,34?/m1/s1
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n/an/a 0.710n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50080628
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,2-dimethy...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1)C(C)(C)C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C32H36N2O6/c1-32(2,3)30(21-8-6-5-7-9-21)33-27(35)18-34-17-24(22-12-15-25-26(16-22)40-19-39-25)28(31(36)37)29(34)20-10-13-23(38-4)14-11-20/h5-16,24,28-30H,17-19H2,1-4H3,(H,33,35)(H,36,37)/t24-,28-,29+,30?/m1/s1
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n/an/a 0.940n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50080610
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...)
Show SMILES CCC(NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1)c1ccccc1
Show InChI InChI=1S/C30H32N2O6/c1-3-24(19-7-5-4-6-8-19)31-27(33)17-32-16-23(21-11-14-25-26(15-21)38-18-37-25)28(30(34)35)29(32)20-9-12-22(36-2)13-10-20/h4-15,23-24,28-29H,3,16-18H2,1-2H3,(H,31,33)(H,34,35)/t23-,24?,28-,29+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125I]-ET-1 from the human endothelin A receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50080616
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2-ethyl-1-p...)
Show SMILES CCC(CC)C(NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1)c1ccccc1
Show InChI InChI=1S/C33H38N2O6/c1-4-21(5-2)31(22-9-7-6-8-10-22)34-29(36)19-35-18-26(24-13-16-27-28(17-24)41-20-40-27)30(33(37)38)32(35)23-11-14-25(39-3)15-12-23/h6-17,21,26,30-32H,4-5,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,31?,32+/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50080619
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(di-o-tolylm...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1C)c1ccccc1C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C36H36N2O6/c1-22-8-4-6-10-27(22)34(28-11-7-5-9-23(28)2)37-32(39)20-38-19-29(25-14-17-30-31(18-25)44-21-43-30)33(36(40)41)35(38)24-12-15-26(42-3)16-13-24/h4-18,29,33-35H,19-21H2,1-3H3,(H,37,39)(H,40,41)/t29-,33-,35+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50080629
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...)
Show SMILES CCCCC(NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1)c1ccccc1
Show InChI InChI=1S/C32H36N2O6/c1-3-4-10-26(21-8-6-5-7-9-21)33-29(35)19-34-18-25(23-13-16-27-28(17-23)40-20-39-27)30(32(36)37)31(34)22-11-14-24(38-2)15-12-22/h5-9,11-17,25-26,30-31H,3-4,10,18-20H2,1-2H3,(H,33,35)(H,36,37)/t25-,26?,30-,31+/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125I]-ET-1 from the human endothelin A receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50080614
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(di-o-tolylm...)
Show SMILES COCCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1C)c1ccccc1C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C38H40N2O7/c1-24-8-4-6-10-29(24)36(30-11-7-5-9-25(30)2)39-34(41)22-40-21-31(27-14-17-32-33(20-27)47-23-46-32)35(38(42)43)37(40)26-12-15-28(16-13-26)45-19-18-44-3/h4-17,20,31,35-37H,18-19,21-23H2,1-3H3,(H,39,41)(H,42,43)/t31-,35-,37+/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50080617
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(di-o-tolylm...)
Show SMILES CC(C)OCCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1C)c1ccccc1C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C40H44N2O7/c1-25(2)46-19-20-47-30-16-13-28(14-17-30)39-37(40(44)45)33(29-15-18-34-35(21-29)49-24-48-34)22-42(39)23-36(43)41-38(31-11-7-5-9-26(31)3)32-12-8-6-10-27(32)4/h5-18,21,25,33,37-39H,19-20,22-24H2,1-4H3,(H,41,43)(H,44,45)/t33-,37-,39+/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50080617
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(di-o-tolylm...)
Show SMILES CC(C)OCCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1C)c1ccccc1C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C40H44N2O7/c1-25(2)46-19-20-47-30-16-13-28(14-17-30)39-37(40(44)45)33(29-15-18-34-35(21-29)49-24-48-34)22-42(39)23-36(43)41-38(31-11-7-5-9-26(31)3)32-12-8-6-10-27(32)4/h5-18,21,25,33,37-39H,19-20,22-24H2,1-4H3,(H,41,43)(H,44,45)/t33-,37-,39+/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50080622
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(C(C)C)c1ccccc1)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C31H34N2O6/c1-19(2)29(20-7-5-4-6-8-20)32-27(34)17-33-16-24(22-11-14-25-26(15-22)39-18-38-25)28(31(35)36)30(33)21-9-12-23(37-3)13-10-21/h4-15,19,24,28-30H,16-18H2,1-3H3,(H,32,34)(H,35,36)/t24-,28-,29?,30+/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50080624
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,2-dimethy...)
Show SMILES COCCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1)C(C)(C)C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C34H40N2O7/c1-34(2,3)32(23-8-6-5-7-9-23)35-29(37)20-36-19-26(24-12-15-27-28(18-24)43-21-42-27)30(33(38)39)31(36)22-10-13-25(14-11-22)41-17-16-40-4/h5-15,18,26,30-32H,16-17,19-21H2,1-4H3,(H,35,37)(H,38,39)/t26-,30-,31+,32?/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50080616
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2-ethyl-1-p...)
Show SMILES CCC(CC)C(NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1)c1ccccc1
Show InChI InChI=1S/C33H38N2O6/c1-4-21(5-2)31(22-9-7-6-8-10-22)34-29(36)19-35-18-26(24-13-16-27-28(17-24)41-20-40-27)30(33(37)38)32(35)23-11-14-25(39-3)15-12-23/h6-17,21,26,30-32H,4-5,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,31?,32+/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125I]-ET-1 from the human endothelin A receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50080610
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...)
Show SMILES CCC(NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1)c1ccccc1
Show InChI InChI=1S/C30H32N2O6/c1-3-24(19-7-5-4-6-8-19)31-27(33)17-32-16-23(21-11-14-25-26(15-21)38-18-37-25)28(30(34)35)29(32)20-9-12-22(36-2)13-10-20/h4-15,23-24,28-29H,3,16-18H2,1-2H3,(H,31,33)(H,34,35)/t23-,24?,28-,29+/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50080627
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-({[(2-ethyl-p...)
Show SMILES CCc1ccccc1C(NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OCCOC(C)C)cc1)C(O)=O)c1ccc2OCOc2c1)c1ccccc1C
Show InChI InChI=1S/C41H46N2O7/c1-5-28-11-7-9-13-33(28)39(32-12-8-6-10-27(32)4)42-37(44)24-43-23-34(30-16-19-35-36(22-30)50-25-49-35)38(41(45)46)40(43)29-14-17-31(18-15-29)48-21-20-47-26(2)3/h6-19,22,26,34,38-40H,5,20-21,23-25H2,1-4H3,(H,42,44)(H,45,46)/t34-,38-,39?,40+/m1/s1
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n/an/a 3.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50080615
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1)c1ccccc1C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C35H34N2O6/c1-22-8-6-7-11-27(22)33(23-9-4-3-5-10-23)36-31(38)20-37-19-28(25-14-17-29-30(18-25)43-21-42-29)32(35(39)40)34(37)24-12-15-26(41-2)16-13-24/h3-18,28,32-34H,19-21H2,1-2H3,(H,36,38)(H,39,40)/t28-,32-,33?,34+/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50080620
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(CC(C)C)c1ccccc1)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C32H36N2O6/c1-20(2)15-26(21-7-5-4-6-8-21)33-29(35)18-34-17-25(23-11-14-27-28(16-23)40-19-39-27)30(32(36)37)31(34)22-9-12-24(38-3)13-10-22/h4-14,16,20,25-26,30-31H,15,17-19H2,1-3H3,(H,33,35)(H,36,37)/t25-,26?,30-,31+/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50080626
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...)
Show SMILES CCCC(NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1)c1ccccc1
Show InChI InChI=1S/C31H34N2O6/c1-3-7-25(20-8-5-4-6-9-20)32-28(34)18-33-17-24(22-12-15-26-27(16-22)39-19-38-26)29(31(35)36)30(33)21-10-13-23(37-2)14-11-21/h4-6,8-16,24-25,29-30H,3,7,17-19H2,1-2H3,(H,32,34)(H,35,36)/t24-,25?,29-,30+/m1/s1
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n/an/a 3.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125I]-ET-1 from the human endothelin A receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50080630
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(1,2-dipheny...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(Cc1ccccc1)c1ccccc1)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C35H34N2O6/c1-41-27-15-12-25(13-16-27)34-33(35(39)40)28(26-14-17-30-31(19-26)43-22-42-30)20-37(34)21-32(38)36-29(24-10-6-3-7-11-24)18-23-8-4-2-5-9-23/h2-17,19,28-29,33-34H,18,20-22H2,1H3,(H,36,38)(H,39,40)/t28-,29?,33-,34+/m1/s1
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n/an/a 3.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125I]-ET-1 from the human endothelin A receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50080612
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(3,3-dimethy...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(CC(C)(C)C)c1ccccc1)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C33H38N2O6/c1-33(2,3)17-26(21-8-6-5-7-9-21)34-29(36)19-35-18-25(23-12-15-27-28(16-23)41-20-40-27)30(32(37)38)31(35)22-10-13-24(39-4)14-11-22/h5-16,25-26,30-31H,17-20H2,1-4H3,(H,34,36)(H,37,38)/t25-,26?,30-,31+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50080629
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...)
Show SMILES CCCCC(NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1)c1ccccc1
Show InChI InChI=1S/C32H36N2O6/c1-3-4-10-26(21-8-6-5-7-9-21)33-29(35)19-34-18-25(23-13-16-27-28(17-23)40-20-39-27)30(32(36)37)31(34)22-11-14-24(38-2)15-12-22/h5-9,11-17,25-26,30-31H,3-4,10,18-20H2,1-2H3,(H,33,35)(H,36,37)/t25-,26?,30-,31+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50080611
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(C)c1ccccc1)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C29H30N2O6/c1-18(19-6-4-3-5-7-19)30-26(32)16-31-15-23(21-10-13-24-25(14-21)37-17-36-24)27(29(33)34)28(31)20-8-11-22(35-2)12-9-20/h3-14,18,23,27-28H,15-17H2,1-2H3,(H,30,32)(H,33,34)/t18?,23-,27-,28+/m1/s1
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n/an/a 5.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125I]-ET-1 from the human endothelin A receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50080613
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-({[(2-ethyl-p...)
Show SMILES CCc1ccccc1C(NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1)c1ccccc1C
Show InChI InChI=1S/C37H38N2O6/c1-4-24-10-6-8-12-29(24)35(28-11-7-5-9-23(28)2)38-33(40)21-39-20-30(26-15-18-31-32(19-26)45-22-44-31)34(37(41)42)36(39)25-13-16-27(43-3)17-14-25/h5-19,30,34-36H,4,20-22H2,1-3H3,(H,38,40)(H,41,42)/t30-,34-,35?,36+/m1/s1
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n/an/a 6.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50080634
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-({[bis-(2-eth...)
Show SMILES CCc1ccccc1C(NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1)c1ccccc1CC
Show InChI InChI=1S/C38H40N2O6/c1-4-24-10-6-8-12-29(24)36(30-13-9-7-11-25(30)5-2)39-34(41)22-40-21-31(27-16-19-32-33(20-27)46-23-45-32)35(38(42)43)37(40)26-14-17-28(44-3)18-15-26/h6-20,31,35-37H,4-5,21-23H2,1-3H3,(H,39,41)(H,42,43)/t31-,35-,37+/m1/s1
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n/an/a 6.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50080626
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...)
Show SMILES CCCC(NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1)c1ccccc1
Show InChI InChI=1S/C31H34N2O6/c1-3-7-25(20-8-5-4-6-9-20)32-28(34)18-33-17-24(22-12-15-26-27(16-22)39-19-38-26)29(31(35)36)30(33)21-10-13-23(37-2)14-11-21/h4-6,8-16,24-25,29-30H,3,7,17-19H2,1-2H3,(H,32,34)(H,35,36)/t24-,25?,29-,30+/m1/s1
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n/an/a 7.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50080625
PNG
((2R,3R,4S)-1-[(Benzhydryl-carbamoyl)-methyl]-4-ben...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1)c1ccccc1)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C34H32N2O6/c1-40-26-15-12-24(13-16-26)33-31(34(38)39)27(25-14-17-28-29(18-25)42-21-41-28)19-36(33)20-30(37)35-32(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-18,27,31-33H,19-21H2,1H3,(H,35,37)(H,38,39)/t27-,31-,33+/m1/s1
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n/an/a 8.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50080628
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,2-dimethy...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1)C(C)(C)C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C32H36N2O6/c1-32(2,3)30(21-8-6-5-7-9-21)33-27(35)18-34-17-24(22-12-15-25-26(16-22)40-19-39-25)28(31(36)37)29(34)20-10-13-23(38-4)14-11-20/h5-16,24,28-30H,17-19H2,1-4H3,(H,33,35)(H,36,37)/t24-,28-,29+,30?/m1/s1
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n/an/a 8.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125I]-ET-1 from the human endothelin A receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50080620
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(CC(C)C)c1ccccc1)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C32H36N2O6/c1-20(2)15-26(21-7-5-4-6-8-21)33-29(35)18-34-17-25(23-11-14-27-28(16-23)40-19-39-27)30(32(36)37)31(34)22-9-12-24(38-3)13-10-22/h4-14,16,20,25-26,30-31H,15,17-19H2,1-3H3,(H,33,35)(H,36,37)/t25-,26?,30-,31+/m1/s1
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n/an/a 13.6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125I]-ET-1 from the human endothelin A receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50080618
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(C)c1ccccc1C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C30H32N2O6/c1-18-6-4-5-7-23(18)19(2)31-27(33)16-32-15-24(21-10-13-25-26(14-21)38-17-37-25)28(30(34)35)29(32)20-8-11-22(36-3)12-9-20/h4-14,19,24,28-29H,15-17H2,1-3H3,(H,31,33)(H,34,35)/t19?,24-,28-,29+/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125I]-ET-1 from the human endothelin A receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50080618
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(C)c1ccccc1C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C30H32N2O6/c1-18-6-4-5-7-23(18)19(2)31-27(33)16-32-15-24(21-10-13-25-26(14-21)38-17-37-25)28(30(34)35)29(32)20-8-11-22(36-3)12-9-20/h4-14,19,24,28-29H,15-17H2,1-3H3,(H,31,33)(H,34,35)/t19?,24-,28-,29+/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50080611
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(C)c1ccccc1)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C29H30N2O6/c1-18(19-6-4-3-5-7-19)30-26(32)16-31-15-23(21-10-13-24-25(14-21)37-17-36-24)27(29(33)34)28(31)20-8-11-22(35-2)12-9-20/h3-14,18,23,27-28H,15-17H2,1-2H3,(H,30,32)(H,33,34)/t18?,23-,27-,28+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50080621
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-({[(2,5-dimet...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1)c1cc(C)ccc1C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C36H36N2O6/c1-22-9-10-23(2)28(17-22)34(24-7-5-4-6-8-24)37-32(39)20-38-19-29(26-13-16-30-31(18-26)44-21-43-30)33(36(40)41)35(38)25-11-14-27(42-3)15-12-25/h4-18,29,33-35H,19-21H2,1-3H3,(H,37,39)(H,40,41)/t29-,33-,34?,35+/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50080625
PNG
((2R,3R,4S)-1-[(Benzhydryl-carbamoyl)-methyl]-4-ben...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1)c1ccccc1)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C34H32N2O6/c1-40-26-15-12-24(13-16-26)33-31(34(38)39)27(25-14-17-28-29(18-25)42-21-41-28)19-36(33)20-30(37)35-32(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-18,27,31-33H,19-21H2,1H3,(H,35,37)(H,38,39)/t27-,31-,33+/m1/s1
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n/an/a 45.9n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125I]-ET-1 from the human endothelin A receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50080630
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(1,2-dipheny...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(Cc1ccccc1)c1ccccc1)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C35H34N2O6/c1-41-27-15-12-25(13-16-27)34-33(35(39)40)28(26-14-17-30-31(19-26)43-22-42-30)20-37(34)21-32(38)36-29(24-10-6-3-7-11-24)18-23-8-4-2-5-9-23/h2-17,19,28-29,33-34H,18,20-22H2,1H3,(H,36,38)(H,39,40)/t28-,29?,33-,34+/m1/s1
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n/an/a 47n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50051007
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbam...)
Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1
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n/an/a 63.3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50080615
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1)c1ccccc1C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C35H34N2O6/c1-22-8-6-7-11-27(22)33(23-9-4-3-5-10-23)36-31(38)20-37-19-28(25-14-17-29-30(18-25)43-21-42-29)32(35(39)40)34(37)24-12-15-26(41-2)16-13-24/h3-18,28,32-34H,19-21H2,1-2H3,(H,36,38)(H,39,40)/t28-,32-,33?,34+/m1/s1
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n/an/a 63.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125I]-ET-1 from the human endothelin A receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50080634
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-({[bis-(2-eth...)
Show SMILES CCc1ccccc1C(NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1)c1ccccc1CC
Show InChI InChI=1S/C38H40N2O6/c1-4-24-10-6-8-12-29(24)36(30-13-9-7-11-25(30)5-2)39-34(41)22-40-21-31(27-16-19-32-33(20-27)46-23-45-32)35(38(42)43)37(40)26-14-17-28(44-3)18-15-26/h6-20,31,35-37H,4-5,21-23H2,1-3H3,(H,39,41)(H,42,43)/t31-,35-,37+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125I]-ET-1 from the human endothelin A receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50080632
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,2-dipheny...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NCC(c1ccccc1)c1ccccc1)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C35H34N2O6/c1-41-27-15-12-25(13-16-27)34-33(35(39)40)29(26-14-17-30-31(18-26)43-22-42-30)20-37(34)21-32(38)36-19-28(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-18,28-29,33-34H,19-22H2,1H3,(H,36,38)(H,39,40)/t29-,33-,34+/m1/s1
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n/an/a 108n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50080621
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-({[(2,5-dimet...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1)c1cc(C)ccc1C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C36H36N2O6/c1-22-9-10-23(2)28(17-22)34(24-7-5-4-6-8-24)37-32(39)20-38-19-29(26-13-16-30-31(18-26)44-21-43-30)33(36(40)41)35(38)25-11-14-27(42-3)15-12-25/h4-18,29,33-35H,19-21H2,1-3H3,(H,37,39)(H,40,41)/t29-,33-,34?,35+/m1/s1
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n/an/a 122n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125I]-ET-1 from the human endothelin A receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50080612
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(3,3-dimethy...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(CC(C)(C)C)c1ccccc1)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C33H38N2O6/c1-33(2,3)17-26(21-8-6-5-7-9-21)34-29(36)19-35-18-25(23-12-15-27-28(16-23)41-20-40-27)30(32(37)38)31(35)22-10-13-24(39-4)14-11-22/h5-16,25-26,30-31H,17-20H2,1-4H3,(H,34,36)(H,37,38)/t25-,26?,30-,31+/m1/s1
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n/an/a 131n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125I]-ET-1 from the human endothelin A receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50080619
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(di-o-tolylm...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1C)c1ccccc1C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C36H36N2O6/c1-22-8-4-6-10-27(22)34(28-11-7-5-9-23(28)2)37-32(39)20-38-19-29(25-14-17-30-31(18-25)44-21-43-30)33(36(40)41)35(38)24-12-15-26(42-3)16-13-24/h4-18,29,33-35H,19-21H2,1-3H3,(H,37,39)(H,40,41)/t29-,33-,35+/m1/s1
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n/an/a 161n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125I]-ET-1 from the human endothelin A receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50080632
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,2-dipheny...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NCC(c1ccccc1)c1ccccc1)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C35H34N2O6/c1-41-27-15-12-25(13-16-27)34-33(35(39)40)29(26-14-17-30-31(18-26)43-22-42-30)20-37(34)21-32(38)36-19-28(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-18,28-29,33-34H,19-22H2,1H3,(H,36,38)(H,39,40)/t29-,33-,34+/m1/s1
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n/an/a 199n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125I]-ET-1 from the human endothelin A receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50080623
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,2-dimethy...)
Show SMILES CC(C)OCCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1)C(C)(C)C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C36H44N2O7/c1-23(2)42-17-18-43-27-14-11-24(12-15-27)33-32(35(40)41)28(26-13-16-29-30(19-26)45-22-44-29)20-38(33)21-31(39)37-34(36(3,4)5)25-9-7-6-8-10-25/h6-16,19,23,28,32-34H,17-18,20-22H2,1-5H3,(H,37,39)(H,40,41)/t28-,32-,33+,34?/m1/s1
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n/an/a 322n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125I]-ET-1 from the human endothelin A receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50080633
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C40H36N2O6/c1-46-32-20-17-27(18-21-32)38-37(39(44)45)33(28-19-22-34-35(23-28)48-26-47-34)24-42(38)25-36(43)41-40(29-11-5-2-6-12-29,30-13-7-3-8-14-30)31-15-9-4-10-16-31/h2-23,33,37-38H,24-26H2,1H3,(H,41,43)(H,44,45)/t33-,37-,38+/m1/s1
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n/an/a 432n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125I]-ET-1 from the human endothelin A receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50080624
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,2-dimethy...)
Show SMILES COCCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1)C(C)(C)C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C34H40N2O7/c1-34(2,3)32(23-8-6-5-7-9-23)35-29(37)20-36-19-26(24-12-15-27-28(18-24)43-21-42-27)30(33(38)39)31(36)22-10-13-25(14-11-22)41-17-16-40-4/h5-15,18,26,30-32H,16-17,19-21H2,1-4H3,(H,35,37)(H,38,39)/t26-,30-,31+,32?/m1/s1
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n/an/a 488n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125I]-ET-1 from the human endothelin A receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50080631
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(9H-fluoren-...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC1c2ccccc2-c2ccccc12)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C34H30N2O6/c1-40-22-13-10-20(11-14-22)33-31(34(38)39)27(21-12-15-28-29(16-21)42-19-41-28)17-36(33)18-30(37)35-32-25-8-4-2-6-23(25)24-7-3-5-9-26(24)32/h2-16,27,31-33H,17-19H2,1H3,(H,35,37)(H,38,39)/t27-,31-,33+/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50080633
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C40H36N2O6/c1-46-32-20-17-27(18-21-32)38-37(39(44)45)33(28-19-22-34-35(23-28)48-26-47-34)24-42(38)25-36(43)41-40(29-11-5-2-6-12-29,30-13-7-3-8-14-30)31-15-9-4-10-16-31/h2-23,33,37-38H,24-26H2,1H3,(H,41,43)(H,44,45)/t33-,37-,38+/m1/s1
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n/an/a 744n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50080613
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-({[(2-ethyl-p...)
Show SMILES CCc1ccccc1C(NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1)c1ccccc1C
Show InChI InChI=1S/C37H38N2O6/c1-4-24-10-6-8-12-29(24)35(28-11-7-5-9-23(28)2)38-33(40)21-39-20-30(26-15-18-31-32(19-26)45-22-44-31)34(37(41)42)36(39)25-13-16-27(43-3)17-14-25/h5-19,30,34-36H,4,20-22H2,1-3H3,(H,38,40)(H,41,42)/t30-,34-,35?,36+/m1/s1
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n/an/a 749n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125I]-ET-1 from the human endothelin A receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50080631
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(9H-fluoren-...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC1c2ccccc2-c2ccccc12)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C34H30N2O6/c1-40-22-13-10-20(11-14-22)33-31(34(38)39)27(21-12-15-28-29(16-21)42-19-41-28)17-36(33)18-30(37)35-32-25-8-4-2-6-23(25)24-7-3-5-9-26(24)32/h2-16,27,31-33H,17-19H2,1H3,(H,35,37)(H,38,39)/t27-,31-,33+/m1/s1
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n/an/a 1.23E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125I]-ET-1 from the human endothelin A receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50080627
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-({[(2-ethyl-p...)
Show SMILES CCc1ccccc1C(NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OCCOC(C)C)cc1)C(O)=O)c1ccc2OCOc2c1)c1ccccc1C
Show InChI InChI=1S/C41H46N2O7/c1-5-28-11-7-9-13-33(28)39(32-12-8-6-10-27(32)4)42-37(44)24-43-23-34(30-16-19-35-36(22-30)50-25-49-35)38(41(45)46)40(43)29-14-17-31(18-15-29)48-21-20-47-26(2)3/h6-19,22,26,34,38-40H,5,20-21,23-25H2,1-4H3,(H,42,44)(H,45,46)/t34-,38-,39?,40+/m1/s1
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n/an/a 1.43E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125I]-ET-1 from the human endothelin A receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50080614
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(di-o-tolylm...)
Show SMILES COCCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1C)c1ccccc1C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C38H40N2O7/c1-24-8-4-6-10-29(24)36(30-11-7-5-9-25(30)2)39-34(41)22-40-21-31(27-14-17-32-33(20-27)47-23-46-32)35(38(42)43)37(40)26-12-15-28(16-13-26)45-19-18-44-3/h4-17,20,31,35-37H,18-19,21-23H2,1-3H3,(H,39,41)(H,42,43)/t31-,35-,37+/m1/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125I]-ET-1 from the human endothelin A receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50080614
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(di-o-tolylm...)
Show SMILES COCCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1C)c1ccccc1C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C38H40N2O7/c1-24-8-4-6-10-29(24)36(30-11-7-5-9-25(30)2)39-34(41)22-40-21-31(27-14-17-32-33(20-27)47-23-46-32)35(38(42)43)37(40)26-12-15-28(16-13-26)45-19-18-44-3/h4-17,20,31,35-37H,18-19,21-23H2,1-3H3,(H,39,41)(H,42,43)/t31-,35-,37+/m1/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125I]-ET-1 from the human endothelin A receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50080617
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(di-o-tolylm...)
Show SMILES CC(C)OCCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1C)c1ccccc1C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C40H44N2O7/c1-25(2)46-19-20-47-30-16-13-28(14-17-30)39-37(40(44)45)33(29-15-18-34-35(21-29)49-24-48-34)22-42(39)23-36(43)41-38(31-11-7-5-9-26(31)3)32-12-8-6-10-27(32)4/h5-18,21,25,33,37-39H,19-20,22-24H2,1-4H3,(H,41,43)(H,44,45)/t33-,37-,39+/m1/s1
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n/an/a 5.17E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125I]-ET-1 from the human endothelin A receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50080617
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(di-o-tolylm...)
Show SMILES CC(C)OCCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1C)c1ccccc1C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C40H44N2O7/c1-25(2)46-19-20-47-30-16-13-28(14-17-30)39-37(40(44)45)33(29-15-18-34-35(21-29)49-24-48-34)22-42(39)23-36(43)41-38(31-11-7-5-9-26(31)3)32-12-8-6-10-27(32)4/h5-18,21,25,33,37-39H,19-20,22-24H2,1-4H3,(H,41,43)(H,44,45)/t33-,37-,39+/m1/s1
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n/an/a 5.17E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125I]-ET-1 from the human endothelin A receptor

J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%