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PubMed code 15006391

Compile data set for download or QSAR
Found 50 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))		BDBM50141458
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-[2-(2-hydroxy...)
Show SMILES CCC(CO)Cc1cc(OC)ccc1[C@H]1[C@@H]([C@H](c2ccc(NC(C)C)nc12)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C31H36N2O6/c1-5-18(15-34)12-20-13-21(37-4)7-8-22(20)28-29(31(35)36)27(19-6-10-24-25(14-19)39-16-38-24)23-9-11-26(32-17(2)3)33-30(23)28/h6-11,13-14,17-18,27-29,34H,5,12,15-16H2,1-4H3,(H,32,33)(H,35,36)/t18?,27-,28-,29+/m0/s1
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n/an/a 0.0110n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin B receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50141472
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-2-isopropylamin...)
Show SMILES COCC(C)Cc1cc(OC)ccc1[C@H]1[C@@H]([C@H](c2ccc(NC(C)C)nc12)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C31H36N2O6/c1-17(2)32-26-11-9-23-27(19-6-10-24-25(14-19)39-16-38-24)29(31(34)35)28(30(23)33-26)22-8-7-21(37-5)13-20(22)12-18(3)15-36-4/h6-11,13-14,17-18,27-29H,12,15-16H2,1-5H3,(H,32,33)(H,34,35)/t18?,27-,28-,29+/m0/s1
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n/an/a 0.0110n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin A receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50141472
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-2-isopropylamin...)
Show SMILES COCC(C)Cc1cc(OC)ccc1[C@H]1[C@@H]([C@H](c2ccc(NC(C)C)nc12)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C31H36N2O6/c1-17(2)32-26-11-9-23-27(19-6-10-24-25(14-19)39-16-38-24)29(31(34)35)28(30(23)33-26)22-8-7-21(37-5)13-20(22)12-18(3)15-36-4/h6-11,13-14,17-18,27-29H,12,15-16H2,1-5H3,(H,32,33)(H,34,35)/t18?,27-,28-,29+/m0/s1
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Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin A receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50141458
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-[2-(2-hydroxy...)
Show SMILES CCC(CO)Cc1cc(OC)ccc1[C@H]1[C@@H]([C@H](c2ccc(NC(C)C)nc12)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C31H36N2O6/c1-5-18(15-34)12-20-13-21(37-4)7-8-22(20)28-29(31(35)36)27(19-6-10-24-25(14-19)39-16-38-24)23-9-11-26(32-17(2)3)33-30(23)28/h6-11,13-14,17-18,27-29,34H,5,12,15-16H2,1-4H3,(H,32,33)(H,35,36)/t18?,27-,28-,29+/m0/s1
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n/an/a 0.0110n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin A receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50141475
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-[2-(2-hydroxy...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(CC(C)(C)O)c1
Show InChI InChI=1S/C30H34N2O6/c1-16(2)31-24-11-9-21-25(17-6-10-22-23(13-17)38-15-37-22)27(29(33)34)26(28(21)32-24)20-8-7-19(36-5)12-18(20)14-30(3,4)35/h6-13,16,25-27,35H,14-15H2,1-5H3,(H,31,32)(H,33,34)/t25-,26-,27+/m0/s1
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n/an/a 0.0140n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin A receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50141465
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-[2-(3-hydroxy...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(CCCO)c1
Show InChI InChI=1S/C29H32N2O6/c1-16(2)30-24-11-9-21-25(18-6-10-22-23(14-18)37-15-36-22)27(29(33)34)26(28(21)31-24)20-8-7-19(35-3)13-17(20)5-4-12-32/h6-11,13-14,16,25-27,32H,4-5,12,15H2,1-3H3,(H,30,31)(H,33,34)/t25-,26-,27+/m0/s1
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n/an/a 0.0220n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin A receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50141468
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-[2-(2-dimethy...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(CC(C)C(=O)N(C)C)c1
Show InChI InChI=1S/C32H37N3O6/c1-17(2)33-26-12-10-23-27(19-7-11-24-25(15-19)41-16-40-24)29(32(37)38)28(30(23)34-26)22-9-8-21(39-6)14-20(22)13-18(3)31(36)35(4)5/h7-12,14-15,17-18,27-29H,13,16H2,1-6H3,(H,33,34)(H,37,38)/t18?,27-,28-,29+/m0/s1
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n/an/a 0.0240n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin A receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50141468
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-[2-(2-dimethy...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(CC(C)C(=O)N(C)C)c1
Show InChI InChI=1S/C32H37N3O6/c1-17(2)33-26-12-10-23-27(19-7-11-24-25(15-19)41-16-40-24)29(32(37)38)28(30(23)34-26)22-9-8-21(39-6)14-20(22)13-18(3)31(36)35(4)5/h7-12,14-15,17-18,27-29H,13,16H2,1-6H3,(H,33,34)(H,37,38)/t18?,27-,28-,29+/m0/s1
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n/an/a 0.0240n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin A receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50141471
PNG
((5S,6R,7R)-7-{2-[(Acetyl-methyl-amino)-methyl]-4-m...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(CN(C)C(C)=O)c1
Show InChI InChI=1S/C30H33N3O6/c1-16(2)31-25-11-9-22-26(18-6-10-23-24(13-18)39-15-38-23)28(30(35)36)27(29(22)32-25)21-8-7-20(37-5)12-19(21)14-33(4)17(3)34/h6-13,16,26-28H,14-15H2,1-5H3,(H,31,32)(H,35,36)/t26-,27-,28+/m0/s1
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n/an/a 0.0270n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin A receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50141463
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-[2-(2-hydroxy...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(CCO)c1
Show InChI InChI=1S/C28H30N2O6/c1-15(2)29-23-9-7-20-24(17-4-8-21-22(13-17)36-14-35-21)26(28(32)33)25(27(20)30-23)19-6-5-18(34-3)12-16(19)10-11-31/h4-9,12-13,15,24-26,31H,10-11,14H2,1-3H3,(H,29,30)(H,32,33)/t24-,25-,26+/m0/s1
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n/an/a 0.0310n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin A receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50141470
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-(2,4-dimethox...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(OC)c1
Show InChI InChI=1S/C27H28N2O6/c1-14(2)28-22-10-8-18-23(15-5-9-19-21(11-15)35-13-34-19)25(27(30)31)24(26(18)29-22)17-7-6-16(32-3)12-20(17)33-4/h5-12,14,23-25H,13H2,1-4H3,(H,28,29)(H,30,31)/t23-,24-,25+/m0/s1
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n/an/a 0.0470n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin A receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50141461
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-[2-(2,3-dihyd...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(CC(O)CO)c1
Show InChI InChI=1S/C29H32N2O7/c1-15(2)30-24-9-7-21-25(16-4-8-22-23(12-16)38-14-37-22)27(29(34)35)26(28(21)31-24)20-6-5-19(36-3)11-17(20)10-18(33)13-32/h4-9,11-12,15,18,25-27,32-33H,10,13-14H2,1-3H3,(H,30,31)(H,34,35)/t18?,25-,26-,27+/m0/s1
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n/an/a 0.0480n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin A receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50141461
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-[2-(2,3-dihyd...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(CC(O)CO)c1
Show InChI InChI=1S/C29H32N2O7/c1-15(2)30-24-9-7-21-25(16-4-8-22-23(12-16)38-14-37-22)27(29(34)35)26(28(21)31-24)20-6-5-19(36-3)11-17(20)10-18(33)13-32/h4-9,11-12,15,18,25-27,32-33H,10,13-14H2,1-3H3,(H,30,31)(H,34,35)/t18?,25-,26-,27+/m0/s1
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Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin A receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50141467
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-[2-(2-hydroxy...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(OC(C)CO)c1
Show InChI InChI=1S/C29H32N2O7/c1-15(2)30-24-10-8-20-25(17-5-9-21-23(11-17)37-14-36-21)27(29(33)34)26(28(20)31-24)19-7-6-18(35-4)12-22(19)38-16(3)13-32/h5-12,15-16,25-27,32H,13-14H2,1-4H3,(H,30,31)(H,33,34)/t16?,25-,26-,27+/m0/s1
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n/an/a 0.0570n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin A receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50141467
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-[2-(2-hydroxy...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(OC(C)CO)c1
Show InChI InChI=1S/C29H32N2O7/c1-15(2)30-24-10-8-20-25(17-5-9-21-23(11-17)37-14-36-21)27(29(33)34)26(28(20)31-24)19-7-6-18(35-4)12-22(19)38-16(3)13-32/h5-12,15-16,25-27,32H,13-14H2,1-4H3,(H,30,31)(H,33,34)/t16?,25-,26-,27+/m0/s1
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n/an/a 0.0570n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin A receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50141460
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-[2-(3-hydroxy...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(CC(C)CO)c1
Show InChI InChI=1S/C30H34N2O6/c1-16(2)31-25-10-8-22-26(18-5-9-23-24(13-18)38-15-37-23)28(30(34)35)27(29(22)32-25)21-7-6-20(36-4)12-19(21)11-17(3)14-33/h5-10,12-13,16-17,26-28,33H,11,14-15H2,1-4H3,(H,31,32)(H,34,35)/t17?,26-,27-,28+/m0/s1
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n/an/a 0.0590n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin B receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50141460
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-[2-(3-hydroxy...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(CC(C)CO)c1
Show InChI InChI=1S/C30H34N2O6/c1-16(2)31-25-10-8-22-26(18-5-9-23-24(13-18)38-15-37-23)28(30(34)35)27(29(22)32-25)21-7-6-20(36-4)12-19(21)11-17(3)14-33/h5-10,12-13,16-17,26-28,33H,11,14-15H2,1-4H3,(H,31,32)(H,34,35)/t17?,26-,27-,28+/m0/s1
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n/an/a 0.0590n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin A receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50141473
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-(2-hydroxymet...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(CO)c1
Show InChI InChI=1S/C27H28N2O6/c1-14(2)28-22-9-7-19-23(15-4-8-20-21(11-15)35-13-34-20)25(27(31)32)24(26(19)29-22)18-6-5-17(33-3)10-16(18)12-30/h4-11,14,23-25,30H,12-13H2,1-3H3,(H,28,29)(H,31,32)/t23-,24-,25+/m0/s1
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n/an/a 0.0620n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin A receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50141457
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-[2-(3-hydroxy...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(CCC(C)(C)O)c1
Show InChI InChI=1S/C31H36N2O6/c1-17(2)32-25-11-9-22-26(19-6-10-23-24(15-19)39-16-38-23)28(30(34)35)27(29(22)33-25)21-8-7-20(37-5)14-18(21)12-13-31(3,4)36/h6-11,14-15,17,26-28,36H,12-13,16H2,1-5H3,(H,32,33)(H,34,35)/t26-,27-,28+/m0/s1
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n/an/a 0.0650n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin A receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50141459
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-(2-isopropoxy...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(OC(C)C)c1
Show InChI InChI=1S/C29H32N2O6/c1-15(2)30-24-11-9-20-25(17-6-10-21-23(12-17)36-14-35-21)27(29(32)33)26(28(20)31-24)19-8-7-18(34-5)13-22(19)37-16(3)4/h6-13,15-16,25-27H,14H2,1-5H3,(H,30,31)(H,32,33)/t25-,26-,27+/m0/s1
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n/an/a 0.110n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin A receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50141469
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-(2-hydroxy-4-...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(O)c1
Show InChI InChI=1S/C26H26N2O6/c1-13(2)27-21-9-7-17-22(14-4-8-19-20(10-14)34-12-33-19)24(26(30)31)23(25(17)28-21)16-6-5-15(32-3)11-18(16)29/h4-11,13,22-24,29H,12H2,1-3H3,(H,27,28)(H,30,31)/t22-,23-,24+/m0/s1
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n/an/a 0.220n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin A receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50141462
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-2-isopropylamin...)
Show SMILES CCCOc1cc(OC)ccc1[C@H]1[C@@H]([C@H](c2ccc(NC(C)C)nc12)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C29H32N2O6/c1-5-12-35-22-14-18(34-4)7-8-19(22)26-27(29(32)33)25(17-6-10-21-23(13-17)37-15-36-21)20-9-11-24(30-16(2)3)31-28(20)26/h6-11,13-14,16,25-27H,5,12,15H2,1-4H3,(H,30,31)(H,32,33)/t25-,26-,27+/m0/s1
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n/an/a 0.410n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin A receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50141474
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-(2-ethoxy-4-m...)
Show SMILES CCOc1cc(OC)ccc1[C@H]1[C@@H]([C@H](c2ccc(NC(C)C)nc12)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C28H30N2O6/c1-5-34-21-13-17(33-4)7-8-18(21)25-26(28(31)32)24(16-6-10-20-22(12-16)36-14-35-20)19-9-11-23(29-15(2)3)30-27(19)25/h6-13,15,24-26H,5,14H2,1-4H3,(H,29,30)(H,31,32)/t24-,25-,26+/m0/s1
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n/an/a 0.740n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin A receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50141466
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-(2-benzyloxy-...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(OCc2ccccc2)c1
Show InChI InChI=1S/C33H32N2O6/c1-19(2)34-28-14-12-24-29(21-9-13-25-27(15-21)41-18-40-25)31(33(36)37)30(32(24)35-28)23-11-10-22(38-3)16-26(23)39-17-20-7-5-4-6-8-20/h4-16,19,29-31H,17-18H2,1-3H3,(H,34,35)(H,36,37)/t29-,30-,31+/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin A receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50141464
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-(2-isobutoxy-...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(OCC(C)C)c1
Show InChI InChI=1S/C30H34N2O6/c1-16(2)14-36-23-13-19(35-5)7-8-20(23)27-28(30(33)34)26(18-6-10-22-24(12-18)38-15-37-22)21-9-11-25(31-17(3)4)32-29(21)27/h6-13,16-17,26-28H,14-15H2,1-5H3,(H,31,32)(H,33,34)/t26-,27-,28+/m0/s1
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n/an/a 0.860n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin A receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50141461
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-[2-(2,3-dihyd...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(CC(O)CO)c1
Show InChI InChI=1S/C29H32N2O7/c1-15(2)30-24-9-7-21-25(16-4-8-22-23(12-16)38-14-37-22)27(29(34)35)26(28(21)31-24)20-6-5-19(36-3)11-17(20)10-18(33)13-32/h4-9,11-12,15,18,25-27,32-33H,10,13-14H2,1-3H3,(H,30,31)(H,34,35)/t18?,25-,26-,27+/m0/s1
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n/an/a 5.60n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin B receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50141461
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-[2-(2,3-dihyd...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(CC(O)CO)c1
Show InChI InChI=1S/C29H32N2O7/c1-15(2)30-24-9-7-21-25(16-4-8-22-23(12-16)38-14-37-22)27(29(34)35)26(28(21)31-24)20-6-5-19(36-3)11-17(20)10-18(33)13-32/h4-9,11-12,15,18,25-27,32-33H,10,13-14H2,1-3H3,(H,30,31)(H,34,35)/t18?,25-,26-,27+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin B receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50141458
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-[2-(2-hydroxy...)
Show SMILES CCC(CO)Cc1cc(OC)ccc1[C@H]1[C@@H]([C@H](c2ccc(NC(C)C)nc12)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C31H36N2O6/c1-5-18(15-34)12-20-13-21(37-4)7-8-22(20)28-29(31(35)36)27(19-6-10-24-25(14-19)39-16-38-24)23-9-11-26(32-17(2)3)33-30(23)28/h6-11,13-14,17-18,27-29,34H,5,12,15-16H2,1-4H3,(H,32,33)(H,35,36)/t18?,27-,28-,29+/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin A receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50141458
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-[2-(2-hydroxy...)
Show SMILES CCC(CO)Cc1cc(OC)ccc1[C@H]1[C@@H]([C@H](c2ccc(NC(C)C)nc12)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C31H36N2O6/c1-5-18(15-34)12-20-13-21(37-4)7-8-22(20)28-29(31(35)36)27(19-6-10-24-25(14-19)39-16-38-24)23-9-11-26(32-17(2)3)33-30(23)28/h6-11,13-14,17-18,27-29,34H,5,12,15-16H2,1-4H3,(H,32,33)(H,35,36)/t18?,27-,28-,29+/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin B receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50141475
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-[2-(2-hydroxy...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(CC(C)(C)O)c1
Show InChI InChI=1S/C30H34N2O6/c1-16(2)31-24-11-9-21-25(17-6-10-22-23(13-17)38-15-37-22)27(29(33)34)26(28(21)32-24)20-8-7-19(36-5)12-18(20)14-30(3,4)35/h6-13,16,25-27,35H,14-15H2,1-5H3,(H,31,32)(H,33,34)/t25-,26-,27+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin B receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50141463
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-[2-(2-hydroxy...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(CCO)c1
Show InChI InChI=1S/C28H30N2O6/c1-15(2)29-23-9-7-20-24(17-4-8-21-22(13-17)36-14-35-21)26(28(32)33)25(27(20)30-23)19-6-5-18(34-3)12-16(19)10-11-31/h4-9,12-13,15,24-26,31H,10-11,14H2,1-3H3,(H,29,30)(H,32,33)/t24-,25-,26+/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin B receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50141465
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-[2-(3-hydroxy...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(CCCO)c1
Show InChI InChI=1S/C29H32N2O6/c1-16(2)30-24-11-9-21-25(18-6-10-22-23(14-18)37-15-36-22)27(29(33)34)26(28(21)31-24)20-8-7-19(35-3)13-17(20)5-4-12-32/h6-11,13-14,16,25-27,32H,4-5,12,15H2,1-3H3,(H,30,31)(H,33,34)/t25-,26-,27+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin B receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50141457
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-[2-(3-hydroxy...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(CCC(C)(C)O)c1
Show InChI InChI=1S/C31H36N2O6/c1-17(2)32-25-11-9-22-26(19-6-10-23-24(15-19)39-16-38-23)28(30(34)35)27(29(22)33-25)21-8-7-20(37-5)14-18(21)12-13-31(3,4)36/h6-11,14-15,17,26-28,36H,12-13,16H2,1-5H3,(H,32,33)(H,34,35)/t26-,27-,28+/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin B receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50141472
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-2-isopropylamin...)
Show SMILES COCC(C)Cc1cc(OC)ccc1[C@H]1[C@@H]([C@H](c2ccc(NC(C)C)nc12)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C31H36N2O6/c1-17(2)32-26-11-9-23-27(19-6-10-24-25(14-19)39-16-38-24)29(31(34)35)28(30(23)33-26)22-8-7-21(37-5)13-20(22)12-18(3)15-36-4/h6-11,13-14,17-18,27-29H,12,15-16H2,1-5H3,(H,32,33)(H,34,35)/t18?,27-,28-,29+/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin B receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50141470
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-(2,4-dimethox...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(OC)c1
Show InChI InChI=1S/C27H28N2O6/c1-14(2)28-22-10-8-18-23(15-5-9-19-21(11-15)35-13-34-19)25(27(30)31)24(26(18)29-22)17-7-6-16(32-3)12-20(17)33-4/h5-12,14,23-25H,13H2,1-4H3,(H,28,29)(H,30,31)/t23-,24-,25+/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin B receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50141472
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-2-isopropylamin...)
Show SMILES COCC(C)Cc1cc(OC)ccc1[C@H]1[C@@H]([C@H](c2ccc(NC(C)C)nc12)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C31H36N2O6/c1-17(2)32-26-11-9-23-27(19-6-10-24-25(14-19)39-16-38-24)29(31(34)35)28(30(23)33-26)22-8-7-21(37-5)13-20(22)12-18(3)15-36-4/h6-11,13-14,17-18,27-29H,12,15-16H2,1-5H3,(H,32,33)(H,34,35)/t18?,27-,28-,29+/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin B receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50141468
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-[2-(2-dimethy...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(CC(C)C(=O)N(C)C)c1
Show InChI InChI=1S/C32H37N3O6/c1-17(2)33-26-12-10-23-27(19-7-11-24-25(15-19)41-16-40-24)29(32(37)38)28(30(23)34-26)22-9-8-21(39-6)14-20(22)13-18(3)31(36)35(4)5/h7-12,14-15,17-18,27-29H,13,16H2,1-6H3,(H,33,34)(H,37,38)/t18?,27-,28-,29+/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin B receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50141471
PNG
((5S,6R,7R)-7-{2-[(Acetyl-methyl-amino)-methyl]-4-m...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(CN(C)C(C)=O)c1
Show InChI InChI=1S/C30H33N3O6/c1-16(2)31-25-11-9-22-26(18-6-10-23-24(13-18)39-15-38-23)28(30(35)36)27(29(22)32-25)21-8-7-20(37-5)12-19(21)14-33(4)17(3)34/h6-13,16,26-28H,14-15H2,1-5H3,(H,31,32)(H,35,36)/t26-,27-,28+/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin B receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50141468
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-[2-(2-dimethy...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(CC(C)C(=O)N(C)C)c1
Show InChI InChI=1S/C32H37N3O6/c1-17(2)33-26-12-10-23-27(19-7-11-24-25(15-19)41-16-40-24)29(32(37)38)28(30(23)34-26)22-9-8-21(39-6)14-20(22)13-18(3)31(36)35(4)5/h7-12,14-15,17-18,27-29H,13,16H2,1-6H3,(H,33,34)(H,37,38)/t18?,27-,28-,29+/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin B receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50141474
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-(2-ethoxy-4-m...)
Show SMILES CCOc1cc(OC)ccc1[C@H]1[C@@H]([C@H](c2ccc(NC(C)C)nc12)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C28H30N2O6/c1-5-34-21-13-17(33-4)7-8-18(21)25-26(28(31)32)24(16-6-10-20-22(12-16)36-14-35-20)19-9-11-23(29-15(2)3)30-27(19)25/h6-13,15,24-26H,5,14H2,1-4H3,(H,29,30)(H,31,32)/t24-,25-,26+/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin B receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50141460
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-[2-(3-hydroxy...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(CC(C)CO)c1
Show InChI InChI=1S/C30H34N2O6/c1-16(2)31-25-10-8-22-26(18-5-9-23-24(13-18)38-15-37-23)28(30(34)35)27(29(22)32-25)21-7-6-20(36-4)12-19(21)11-17(3)14-33/h5-10,12-13,16-17,26-28,33H,11,14-15H2,1-4H3,(H,31,32)(H,34,35)/t17?,26-,27-,28+/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin B receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50141460
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-[2-(3-hydroxy...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(CC(C)CO)c1
Show InChI InChI=1S/C30H34N2O6/c1-16(2)31-25-10-8-22-26(18-5-9-23-24(13-18)38-15-37-23)28(30(34)35)27(29(22)32-25)21-7-6-20(36-4)12-19(21)11-17(3)14-33/h5-10,12-13,16-17,26-28,33H,11,14-15H2,1-4H3,(H,31,32)(H,34,35)/t17?,26-,27-,28+/m0/s1
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n/an/a 54n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin A receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50141473
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-(2-hydroxymet...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(CO)c1
Show InChI InChI=1S/C27H28N2O6/c1-14(2)28-22-9-7-19-23(15-4-8-20-21(11-15)35-13-34-20)25(27(31)32)24(26(19)29-22)18-6-5-17(33-3)10-16(18)12-30/h4-11,14,23-25,30H,12-13H2,1-3H3,(H,28,29)(H,31,32)/t23-,24-,25+/m0/s1
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n/an/a 62n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin B receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50141467
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-[2-(2-hydroxy...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(OC(C)CO)c1
Show InChI InChI=1S/C29H32N2O7/c1-15(2)30-24-10-8-20-25(17-5-9-21-23(11-17)37-14-36-21)27(29(33)34)26(28(20)31-24)19-7-6-18(35-4)12-22(19)38-16(3)13-32/h5-12,15-16,25-27,32H,13-14H2,1-4H3,(H,30,31)(H,33,34)/t16?,25-,26-,27+/m0/s1
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n/an/a 78n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin B receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50141467
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-[2-(2-hydroxy...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(OC(C)CO)c1
Show InChI InChI=1S/C29H32N2O7/c1-15(2)30-24-10-8-20-25(17-5-9-21-23(11-17)37-14-36-21)27(29(33)34)26(28(20)31-24)19-7-6-18(35-4)12-22(19)38-16(3)13-32/h5-12,15-16,25-27,32H,13-14H2,1-4H3,(H,30,31)(H,33,34)/t16?,25-,26-,27+/m0/s1
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n/an/a 78n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin B receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50141459
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-(2-isopropoxy...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(OC(C)C)c1
Show InChI InChI=1S/C29H32N2O6/c1-15(2)30-24-11-9-20-25(17-6-10-21-23(12-17)36-14-35-21)27(29(32)33)26(28(20)31-24)19-8-7-18(34-5)13-22(19)37-16(3)4/h6-13,15-16,25-27H,14H2,1-5H3,(H,30,31)(H,32,33)/t25-,26-,27+/m0/s1
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n/an/a 88n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin B receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50141462
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-2-isopropylamin...)
Show SMILES CCCOc1cc(OC)ccc1[C@H]1[C@@H]([C@H](c2ccc(NC(C)C)nc12)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C29H32N2O6/c1-5-12-35-22-14-18(34-4)7-8-19(22)26-27(29(32)33)25(17-6-10-21-23(13-17)37-15-36-21)20-9-11-24(30-16(2)3)31-28(20)26/h6-11,13-14,16,25-27H,5,12,15H2,1-4H3,(H,30,31)(H,32,33)/t25-,26-,27+/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin B receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50141469
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-(2-hydroxy-4-...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(O)c1
Show InChI InChI=1S/C26H26N2O6/c1-13(2)27-21-9-7-17-22(14-4-8-19-20(10-14)34-12-33-19)24(26(30)31)23(25(17)28-21)16-6-5-15(32-3)11-18(16)29/h4-11,13,22-24,29H,12H2,1-3H3,(H,27,28)(H,30,31)/t22-,23-,24+/m0/s1
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n/an/a 290n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin B receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50141464
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-(2-isobutoxy-...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(OCC(C)C)c1
Show InChI InChI=1S/C30H34N2O6/c1-16(2)14-36-23-13-19(35-5)7-8-20(23)27-28(30(33)34)26(18-6-10-22-24(12-18)38-15-37-22)21-9-11-25(31-17(3)4)32-29(21)27/h6-13,16-17,26-28H,14-15H2,1-5H3,(H,31,32)(H,33,34)/t26-,27-,28+/m0/s1
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n/an/a 420n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin B receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50141466
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-(2-benzyloxy-...)
Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(OCc2ccccc2)c1
Show InChI InChI=1S/C33H32N2O6/c1-19(2)34-28-14-12-24-29(21-9-13-25-27(15-21)41-18-40-25)31(33(36)37)30(32(24)35-28)23-11-10-22(38-3)16-26(23)39-17-20-7-5-4-6-8-20/h4-16,19,29-31H,17-18H2,1-3H3,(H,34,35)(H,36,37)/t29-,30-,31+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 480n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-ET-1 binding to human endothelin B receptor

Bioorg Med Chem Lett 14: 1503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.008
BindingDB Entry DOI: 10.7270/Q23R0SB4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%