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PubMed code 10377221

Compile data set for download or QSAR
Found 44 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))		BDBM50077930
PNG
(5-{5-[4-Benzo[1,3]dioxol-5-yl-2-hydroxy-2-(4-metho...)
Show SMILES COC(=O)CCCCOc1cc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccc3OCOc3c2)cc(OC)c1OC |t:13|
Show InChI InChI=1S/C33H34O11/c1-37-23-11-9-22(10-12-23)33(36)24(30(32(35)44-33)21-8-13-25-26(18-21)43-19-42-25)15-20-16-27(38-2)31(40-4)28(17-20)41-14-6-5-7-29(34)39-3/h8-13,16-18,36H,5-7,14-15,19H2,1-4H3
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n/an/a 0.0500n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50077933
PNG
(4-{5-[4-Benzo[1,3]dioxol-5-yl-2-hydroxy-2-(4-metho...)
Show SMILES COC(=O)CCCOc1cc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccc3OCOc3c2)cc(OC)c1OC |t:12|
Show InChI InChI=1S/C32H32O11/c1-36-22-10-8-21(9-11-22)32(35)23(29(31(34)43-32)20-7-12-24-25(17-20)42-18-41-24)14-19-15-26(37-2)30(39-4)27(16-19)40-13-5-6-28(33)38-3/h7-12,15-17,35H,5-6,13-14,18H2,1-4H3
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n/an/a 0.0900n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50077935
PNG
(CHEMBL308646 | {5-[4-Benzo[1,3]dioxol-5-yl-2-hydro...)
Show SMILES COC(=O)COc1cc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccc3OCOc3c2)cc(OC)c1OC |t:10|
Show InChI InChI=1S/C30H28O11/c1-34-20-8-6-19(7-9-20)30(33)21(27(29(32)41-30)18-5-10-22-23(14-18)40-16-39-22)11-17-12-24(35-2)28(37-4)25(13-17)38-15-26(31)36-3/h5-10,12-14,33H,11,15-16H2,1-4H3
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n/an/a 0.200n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50077934
PNG
(3-Benzo[1,3]dioxol-5-yl-4-[3,4-dimethoxy-5-(2-morp...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCN2CCOCC2)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C33H35NO10/c1-37-24-7-5-23(6-8-24)33(36)25(30(32(35)44-33)22-4-9-26-27(19-22)43-20-42-26)16-21-17-28(38-2)31(39-3)29(18-21)41-15-12-34-10-13-40-14-11-34/h4-9,17-19,36H,10-16,20H2,1-3H3
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n/an/a 0.200n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50077936
PNG
(4-{5-[4-Benzo[1,3]dioxol-5-yl-2-hydroxy-2-(4-metho...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCCC(O)=O)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C31H30O11/c1-36-21-9-7-20(8-10-21)31(35)22(28(30(34)42-31)19-6-11-23-24(16-19)41-17-40-23)13-18-14-25(37-2)29(38-3)26(15-18)39-12-4-5-27(32)33/h6-11,14-16,35H,4-5,12-13,17H2,1-3H3,(H,32,33)
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n/an/a 0.290n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
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
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50077946
PNG
(5-{5-[4-Benzo[1,3]dioxol-5-yl-2-hydroxy-2-(4-metho...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCCCC(O)=O)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C32H32O11/c1-37-22-10-8-21(9-11-22)32(36)23(29(31(35)43-32)20-7-12-24-25(17-20)42-18-41-24)14-19-15-26(38-2)30(39-3)27(16-19)40-13-5-4-6-28(33)34/h7-12,15-17,36H,4-6,13-14,18H2,1-3H3,(H,33,34)
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n/an/a 0.300n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50077944
PNG
(CHEMBL408055 | Sodium; 3-{5-[4-benzo[1,3]dioxol-5-...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCCS([O-])(=O)=O)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C30H30O12S/c1-36-21-8-6-20(7-9-21)30(32)22(27(29(31)42-30)19-5-10-23-24(16-19)41-17-40-23)13-18-14-25(37-2)28(38-3)26(15-18)39-11-4-12-43(33,34)35/h5-10,14-16,32H,4,11-13,17H2,1-3H3,(H,33,34,35)/p-1
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n/an/a 0.380n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50077941
PNG
(3-Benzo[1,3]dioxol-5-yl-4-[3,4-dimethoxy-5-(3-morp...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCCN2CCOCC2)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C34H37NO10/c1-38-25-8-6-24(7-9-25)34(37)26(31(33(36)45-34)23-5-10-27-28(20-23)44-21-43-27)17-22-18-29(39-2)32(40-3)30(19-22)42-14-4-11-35-12-15-41-16-13-35/h5-10,18-20,37H,4,11-17,21H2,1-3H3
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n/an/a 0.700n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50077943
PNG
(3-Benzo[1,3]dioxol-5-yl-4-[3-(3-dimethylamino-prop...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCCN(C)C)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C32H35NO9/c1-33(2)13-6-14-39-28-17-20(16-27(37-4)30(28)38-5)15-24-29(21-7-12-25-26(18-21)41-19-40-25)31(34)42-32(24,35)22-8-10-23(36-3)11-9-22/h7-12,16-18,35H,6,13-15,19H2,1-5H3
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n/an/a 1n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50077947
PNG
(3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cccc(OCCCN2CCOCC2)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C32H33NO8/c1-36-25-9-7-24(8-10-25)32(35)27(30(31(34)41-32)23-6-11-28-29(20-23)40-21-39-28)19-22-4-2-5-26(18-22)38-15-3-12-33-13-16-37-17-14-33/h2,4-11,18,20,35H,3,12-17,19,21H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50077938
PNG
(3-Benzo[1,3]dioxol-5-yl-4-{3,4-dimethoxy-5-[3-(4-m...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCCN2CCN(C)CC2)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C35H40N2O9/c1-36-13-15-37(16-14-36)12-5-17-43-31-20-23(19-30(41-3)33(31)42-4)18-27-32(24-6-11-28-29(21-24)45-22-44-28)34(38)46-35(27,39)25-7-9-26(40-2)10-8-25/h6-11,19-21,39H,5,12-18,22H2,1-4H3
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50077945
PNG
(3-Benzo[1,3]dioxol-5-yl-4-[3-(2-dimethylamino-etho...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCN(C)C)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C31H33NO9/c1-32(2)12-13-38-27-16-19(15-26(36-4)29(27)37-5)14-23-28(20-6-11-24-25(17-20)40-18-39-24)30(33)41-31(23,34)21-7-9-22(35-3)10-8-21/h6-11,15-17,34H,12-14,18H2,1-5H3
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n/an/a 2.80n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50077942
PNG
(3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cccc(OCCN2CCOCC2)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C31H31NO8/c1-35-24-8-6-23(7-9-24)31(34)26(29(30(33)40-31)22-5-10-27-28(19-22)39-20-38-27)18-21-3-2-4-25(17-21)37-16-13-32-11-14-36-15-12-32/h2-10,17,19,34H,11-16,18,20H2,1H3
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50077931
PNG
(CHEMBL70017 | {5-[4-Benzo[1,3]dioxol-5-yl-2-hydrox...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCC(O)=O)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C29H26O11/c1-34-19-7-5-18(6-8-19)29(33)20(26(28(32)40-29)17-4-9-21-22(13-17)39-15-38-21)10-16-11-23(35-2)27(36-3)24(12-16)37-14-25(30)31/h4-9,11-13,33H,10,14-15H2,1-3H3,(H,30,31)
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n/an/a 8.5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50077937
PNG
(3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cccc(OCCN2CCCC2)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C31H31NO7/c1-35-24-10-8-23(9-11-24)31(34)26(29(30(33)39-31)22-7-12-27-28(19-22)38-20-37-27)18-21-5-4-6-25(17-21)36-16-15-32-13-2-3-14-32/h4-12,17,19,34H,2-3,13-16,18,20H2,1H3
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n/an/a 10n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50077939
PNG
(3-Benzo[1,3]dioxol-5-yl-4-[3,5-bis-(2-morpholin-4-...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OCCN2CCOCC2)cc(OCCN2CCOCC2)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C37H42N2O10/c1-42-29-5-3-28(4-6-29)37(41)32(35(36(40)49-37)27-2-7-33-34(23-27)48-25-47-33)22-26-20-30(45-18-12-38-8-14-43-15-9-38)24-31(21-26)46-19-13-39-10-16-44-17-11-39/h2-7,20-21,23-24,41H,8-19,22,25H2,1H3
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n/an/a>10n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50077928
PNG
(3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cccc(OCCCN2CCN(C)CC2)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C33H36N2O7/c1-34-14-16-35(17-15-34)13-4-18-39-27-6-3-5-23(19-27)20-28-31(24-7-12-29-30(21-24)41-22-40-29)32(36)42-33(28,37)25-8-10-26(38-2)11-9-25/h3,5-12,19,21,37H,4,13-18,20,22H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50077929
PNG
(3-Benzo[1,3]dioxol-5-yl-4-[3-(2-dimethylamino-etho...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cccc(OCCN(C)C)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C29H29NO7/c1-30(2)13-14-34-23-6-4-5-19(15-23)16-24-27(20-7-12-25-26(17-20)36-18-35-25)28(31)37-29(24,32)21-8-10-22(33-3)11-9-21/h4-12,15,17,32H,13-14,16,18H2,1-3H3
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n/an/a 27n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50077940
PNG
(3-Benzo[1,3]dioxol-5-yl-4-[3-(3-dimethylamino-prop...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cccc(OCCCN(C)C)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C30H31NO7/c1-31(2)14-5-15-35-24-7-4-6-20(16-24)17-25-28(21-8-13-26-27(18-21)37-19-36-26)29(32)38-30(25,33)22-9-11-23(34-3)12-10-22/h4,6-13,16,18,33H,5,14-15,17,19H2,1-3H3
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n/an/a 28n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50077933
PNG
(4-{5-[4-Benzo[1,3]dioxol-5-yl-2-hydroxy-2-(4-metho...)
Show SMILES COC(=O)CCCOc1cc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccc3OCOc3c2)cc(OC)c1OC |t:12|
Show InChI InChI=1S/C32H32O11/c1-36-22-10-8-21(9-11-22)32(35)23(29(31(34)43-32)20-7-12-24-25(17-20)42-18-41-24)14-19-15-26(37-2)30(39-4)27(16-19)40-13-5-6-28(33)38-3/h7-12,15-17,35H,5-6,13-14,18H2,1-4H3
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n/an/a 200n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin B receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50077940
PNG
(3-Benzo[1,3]dioxol-5-yl-4-[3-(3-dimethylamino-prop...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cccc(OCCCN(C)C)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C30H31NO7/c1-31(2)14-5-15-35-24-7-4-6-20(16-24)17-25-28(21-8-13-26-27(18-21)37-19-36-26)29(32)38-30(25,33)22-9-11-23(34-3)12-10-22/h4,6-13,16,18,33H,5,14-15,17,19H2,1-3H3
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n/an/a>250n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin B receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50077941
PNG
(3-Benzo[1,3]dioxol-5-yl-4-[3,4-dimethoxy-5-(3-morp...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCCN2CCOCC2)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C34H37NO10/c1-38-25-8-6-24(7-9-25)34(37)26(31(33(36)45-34)23-5-10-27-28(20-23)44-21-43-27)17-22-18-29(39-2)32(40-3)30(19-22)42-14-4-11-35-12-15-41-16-13-35/h5-10,18-20,37H,4,11-17,21H2,1-3H3
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n/an/a>250n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin B receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50077935
PNG
(CHEMBL308646 | {5-[4-Benzo[1,3]dioxol-5-yl-2-hydro...)
Show SMILES COC(=O)COc1cc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccc3OCOc3c2)cc(OC)c1OC |t:10|
Show InChI InChI=1S/C30H28O11/c1-34-20-8-6-19(7-9-20)30(33)21(27(29(32)41-30)18-5-10-22-23(14-18)40-16-39-22)11-17-12-24(35-2)28(37-4)25(13-17)38-15-26(31)36-3/h5-10,12-14,33H,11,15-16H2,1-4H3
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n/an/a 600n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin B receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
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
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin B receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50077930
PNG
(5-{5-[4-Benzo[1,3]dioxol-5-yl-2-hydroxy-2-(4-metho...)
Show SMILES COC(=O)CCCCOc1cc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccc3OCOc3c2)cc(OC)c1OC |t:13|
Show InChI InChI=1S/C33H34O11/c1-37-23-11-9-22(10-12-23)33(36)24(30(32(35)44-33)21-8-13-25-26(18-21)43-19-42-25)15-20-16-27(38-2)31(40-4)28(17-20)41-14-6-5-7-29(34)39-3/h8-13,16-18,36H,5-7,14-15,19H2,1-4H3
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n/an/a 900n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin B receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50077936
PNG
(4-{5-[4-Benzo[1,3]dioxol-5-yl-2-hydroxy-2-(4-metho...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCCC(O)=O)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C31H30O11/c1-36-21-9-7-20(8-10-21)31(35)22(28(30(34)42-31)19-6-11-23-24(16-19)41-17-40-23)13-18-14-25(37-2)29(38-3)26(15-18)39-12-4-5-27(32)33/h6-11,14-16,35H,4-5,12-13,17H2,1-3H3,(H,32,33)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin B receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50077944
PNG
(CHEMBL408055 | Sodium; 3-{5-[4-benzo[1,3]dioxol-5-...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCCS([O-])(=O)=O)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C30H30O12S/c1-36-21-8-6-20(7-9-21)30(32)22(27(29(31)42-30)19-5-10-23-24(16-19)41-17-40-23)13-18-14-25(37-2)28(38-3)26(15-18)39-11-4-12-43(33,34)35/h5-10,14-16,32H,4,11-13,17H2,1-3H3,(H,33,34,35)/p-1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin B receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50077932
PNG
(3-Benzo[1,3]dioxol-5-yl-5-hydroxy-4-[4-methoxy-3,5...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OCCN2CCOCC2)c(OC)c(OCCN2CCOCC2)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C38H44N2O11/c1-43-29-6-4-28(5-7-29)38(42)30(35(37(41)51-38)27-3-8-31-32(24-27)50-25-49-31)21-26-22-33(47-19-13-39-9-15-45-16-10-39)36(44-2)34(23-26)48-20-14-40-11-17-46-18-12-40/h3-8,22-24,42H,9-21,25H2,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50077946
PNG
(5-{5-[4-Benzo[1,3]dioxol-5-yl-2-hydroxy-2-(4-metho...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCCCC(O)=O)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C32H32O11/c1-37-22-10-8-21(9-11-22)32(36)23(29(31(35)43-32)20-7-12-24-25(17-20)42-18-41-24)14-19-15-26(38-2)30(39-3)27(16-19)40-13-5-4-6-28(33)34/h7-12,15-17,36H,4-6,13-14,18H2,1-3H3,(H,33,34)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin B receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50077934
PNG
(3-Benzo[1,3]dioxol-5-yl-4-[3,4-dimethoxy-5-(2-morp...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCN2CCOCC2)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C33H35NO10/c1-37-24-7-5-23(6-8-24)33(36)25(30(32(35)44-33)22-4-9-26-27(19-22)43-20-42-26)16-21-17-28(38-2)31(39-3)29(18-21)41-15-12-34-10-13-40-14-11-34/h4-9,17-19,36H,10-16,20H2,1-3H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin B receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50077929
PNG
(3-Benzo[1,3]dioxol-5-yl-4-[3-(2-dimethylamino-etho...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cccc(OCCN(C)C)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C29H29NO7/c1-30(2)13-14-34-23-6-4-5-19(15-23)16-24-27(20-7-12-25-26(17-20)36-18-35-25)28(31)37-29(24,32)21-8-10-22(33-3)11-9-21/h4-12,15,17,32H,13-14,16,18H2,1-3H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin B receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50077943
PNG
(3-Benzo[1,3]dioxol-5-yl-4-[3-(3-dimethylamino-prop...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCCN(C)C)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C32H35NO9/c1-33(2)13-6-14-39-28-17-20(16-27(37-4)30(28)38-5)15-24-29(21-7-12-25-26(18-21)41-19-40-25)31(34)42-32(24,35)22-8-10-23(36-3)11-9-22/h7-12,16-18,35H,6,13-15,19H2,1-5H3
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n/an/a>2.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin B receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50077927
PNG
(3-Benzo[1,3]dioxol-5-yl-4-[4-(3-dimethylamino-prop...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc(OCCCN(C)C)cc1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C30H31NO7/c1-31(2)15-4-16-35-24-10-5-20(6-11-24)17-25-28(21-7-14-26-27(18-21)37-19-36-26)29(32)38-30(25,33)22-8-12-23(34-3)13-9-22/h5-14,18,33H,4,15-17,19H2,1-3H3
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n/an/a>2.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin B receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50077947
PNG
(3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cccc(OCCCN2CCOCC2)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C32H33NO8/c1-36-25-9-7-24(8-10-25)32(35)27(30(31(34)41-32)23-6-11-28-29(20-23)40-21-39-28)19-22-4-2-5-26(18-22)38-15-3-12-33-13-16-37-17-14-33/h2,4-11,18,20,35H,3,12-17,19,21H2,1H3
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n/an/a>2.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin B receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50077945
PNG
(3-Benzo[1,3]dioxol-5-yl-4-[3-(2-dimethylamino-etho...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCN(C)C)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C31H33NO9/c1-32(2)12-13-38-27-16-19(15-26(36-4)29(27)37-5)14-23-28(20-6-11-24-25(17-20)40-18-39-24)30(33)41-31(23,34)21-7-9-22(35-3)10-8-21/h6-11,15-17,34H,12-14,18H2,1-5H3
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n/an/a>2.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin B receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50077939
PNG
(3-Benzo[1,3]dioxol-5-yl-4-[3,5-bis-(2-morpholin-4-...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OCCN2CCOCC2)cc(OCCN2CCOCC2)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C37H42N2O10/c1-42-29-5-3-28(4-6-29)37(41)32(35(36(40)49-37)27-2-7-33-34(23-27)48-25-47-33)22-26-20-30(45-18-12-38-8-14-43-15-9-38)24-31(21-26)46-19-13-39-10-16-44-17-11-39/h2-7,20-21,23-24,41H,8-19,22,25H2,1H3
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n/an/a>2.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin B receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50077928
PNG
(3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cccc(OCCCN2CCN(C)CC2)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C33H36N2O7/c1-34-14-16-35(17-15-34)13-4-18-39-27-6-3-5-23(19-27)20-28-31(24-7-12-29-30(21-24)41-22-40-29)32(36)42-33(28,37)25-8-10-26(38-2)11-9-25/h3,5-12,19,21,37H,4,13-18,20,22H2,1-2H3
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n/an/a>2.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin B receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50077938
PNG
(3-Benzo[1,3]dioxol-5-yl-4-{3,4-dimethoxy-5-[3-(4-m...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCCN2CCN(C)CC2)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C35H40N2O9/c1-36-13-15-37(16-14-36)12-5-17-43-31-20-23(19-30(41-3)33(31)42-4)18-27-32(24-6-11-28-29(21-24)45-22-44-28)34(38)46-35(27,39)25-7-9-26(40-2)10-8-25/h6-11,19-21,39H,5,12-18,22H2,1-4H3
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n/an/a>2.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin B receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50077937
PNG
(3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cccc(OCCN2CCCC2)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C31H31NO7/c1-35-24-10-8-23(9-11-24)31(34)26(29(30(33)39-31)22-7-12-27-28(19-22)38-20-37-27)18-21-5-4-6-25(17-21)36-16-15-32-13-2-3-14-32/h4-12,17,19,34H,2-3,13-16,18,20H2,1H3
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n/an/a>2.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin B receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50077942
PNG
(3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cccc(OCCN2CCOCC2)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C31H31NO8/c1-35-24-8-6-23(7-9-24)31(34)26(29(30(33)40-31)22-5-10-27-28(19-22)39-20-38-27)18-21-3-2-4-25(17-21)37-16-13-32-11-14-36-15-12-32/h2-10,17,19,34H,11-16,18,20H2,1H3
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n/an/a>2.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin B receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50077932
PNG
(3-Benzo[1,3]dioxol-5-yl-5-hydroxy-4-[4-methoxy-3,5...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OCCN2CCOCC2)c(OC)c(OCCN2CCOCC2)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C38H44N2O11/c1-43-29-6-4-28(5-7-29)38(42)30(35(37(41)51-38)27-3-8-31-32(24-27)50-25-49-31)21-26-22-33(47-19-13-39-9-15-45-16-10-39)36(44-2)34(23-26)48-20-14-40-11-17-46-18-12-40/h3-8,22-24,42H,9-21,25H2,1-2H3
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n/an/a>2.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin B receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50077931
PNG
(CHEMBL70017 | {5-[4-Benzo[1,3]dioxol-5-yl-2-hydrox...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCC(O)=O)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C29H26O11/c1-34-19-7-5-18(6-8-19)29(33)20(26(28(32)40-29)17-4-9-21-22(13-17)39-15-38-21)10-16-11-23(35-2)27(36-3)24(12-16)37-14-25(30)31/h4-9,11-13,33H,10,14-15H2,1-3H3,(H,30,31)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin B receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50077927
PNG
(3-Benzo[1,3]dioxol-5-yl-4-[4-(3-dimethylamino-prop...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc(OCCCN(C)C)cc1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C30H31NO7/c1-31(2)15-4-16-35-24-10-5-20(6-11-24)17-25-28(21-7-14-26-27(18-21)37-19-36-26)29(32)38-30(25,33)22-8-12-23(34-3)13-9-22/h5-14,18,33H,4,15-17,19H2,1-3H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.

J Med Chem 42: 2162-8 (1999)


Article DOI: 10.1021/jm980504w
BindingDB Entry DOI: 10.7270/Q2V12404
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%