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Compile Data Set for Download or QSAR

Found 446 hits of ic50 for UniProtKB: P35463   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Endothelin receptor type B


(Sus scrofa)		BDBM50061086
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-{2-[(3-chloro...)
Show SMILES CCCN(CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)c(F)c1)C(O)=O)c1ccc2OCOc2c1)S(=O)(=O)CCCCl
Show InChI InChI=1S/C27H34ClFN2O7S/c1-3-10-31(39(34,35)13-4-9-28)12-11-30-16-20(18-5-8-23-24(15-18)38-17-37-23)25(27(32)33)26(30)19-6-7-22(36-2)21(29)14-19/h5-8,14-15,20,25-26H,3-4,9-13,16-17H2,1-2H3,(H,32,33)/t20-,25-,26+/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to displace endothelin ([125I]-ET-3) from endothelin B receptor derived from cerebellar tissue of porcine.

J Med Chem 40: 3217-27 (1997)


Article DOI: 10.1021/jm970101g
BindingDB Entry DOI: 10.7270/Q2C24VJR
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50061086
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-{2-[(3-chloro...)
Show SMILES CCCN(CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)c(F)c1)C(O)=O)c1ccc2OCOc2c1)S(=O)(=O)CCCCl
Show InChI InChI=1S/C27H34ClFN2O7S/c1-3-10-31(39(34,35)13-4-9-28)12-11-30-16-20(18-5-8-23-24(15-18)38-17-37-23)25(27(32)33)26(30)19-6-7-22(36-2)21(29)14-19/h5-8,14-15,20,25-26H,3-4,9-13,16-17H2,1-2H3,(H,32,33)/t20-,25-,26+/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to displace endothelin ([125I]-ET-3) from endothelin B receptor derived from cerebellar tissue of porcine.

J Med Chem 40: 3217-27 (1997)


Article DOI: 10.1021/jm970101g
BindingDB Entry DOI: 10.7270/Q2C24VJR
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50061096
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-{2-[(butane-1...)
Show SMILES CCCCS(=O)(=O)N(CCC)CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)c(F)c1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C28H37FN2O7S/c1-4-6-14-39(34,35)31(11-5-2)13-12-30-17-21(19-7-10-24-25(16-19)38-18-37-24)26(28(32)33)27(30)20-8-9-23(36-3)22(29)15-20/h7-10,15-16,21,26-27H,4-6,11-14,17-18H2,1-3H3,(H,32,33)/t21-,26-,27+/m1/s1
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n/an/a 0.320n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to displace endothelin ([125I]-ET-3) from endothelin B receptor derived from cerebellar tissue of porcine.

J Med Chem 40: 3217-27 (1997)


Article DOI: 10.1021/jm970101g
BindingDB Entry DOI: 10.7270/Q2C24VJR
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50061096
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-{2-[(butane-1...)
Show SMILES CCCCS(=O)(=O)N(CCC)CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)c(F)c1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C28H37FN2O7S/c1-4-6-14-39(34,35)31(11-5-2)13-12-30-17-21(19-7-10-24-25(16-19)38-18-37-24)26(28(32)33)27(30)20-8-9-23(36-3)22(29)15-20/h7-10,15-16,21,26-27H,4-6,11-14,17-18H2,1-3H3,(H,32,33)/t21-,26-,27+/m1/s1
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n/an/a 0.320n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to displace endothelin ([125I]-ET-3) from endothelin B receptor derived from cerebellar tissue of porcine.

J Med Chem 40: 3217-27 (1997)


Article DOI: 10.1021/jm970101g
BindingDB Entry DOI: 10.7270/Q2C24VJR
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50284769
PNG
((S)-2-((R)-3-(2-Bromo-1H-indol-3-yl)-2-{(S)-2-cycl...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)N1[C@@H](C)CCC[C@H]1C)C1CC1)C(O)=O
Show InChI InChI=1S/C30H42BrN5O5/c1-4-5-12-23(29(39)40)33-27(37)24(16-21-20-11-6-7-13-22(20)32-26(21)31)34-28(38)25(19-14-15-19)35-30(41)36-17(2)9-8-10-18(36)3/h6-7,11,13,17-19,23-25,32H,4-5,8-10,12,14-16H2,1-3H3,(H,33,37)(H,34,38)(H,35,41)(H,39,40)/t17-,18+,23-,24+,25-/m0/s1
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n/an/a 0.810n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 125 I-labeled ET-1 binding to Endothelin B receptor in porcine cerebellum membranes

Bioorg Med Chem Lett 5: 1483-1488 (1995)


Article DOI: 10.1016/0960-894X(95)00237-N
BindingDB Entry DOI: 10.7270/Q27D2VM3
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50051385
PNG
(2-((R)-3-(2-Bromo-1H-indol-3-yl)-2-{2-cyclopropyl-...)
Show SMILES CCCCC(NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc12)NC(=O)C(NC(=O)N1[C@@H](C)CCC[C@H]1C)C1CC1)C(O)=O
Show InChI InChI=1S/C30H42BrN5O5/c1-4-5-12-23(29(39)40)33-27(37)24(16-21-20-11-6-7-13-22(20)32-26(21)31)34-28(38)25(19-14-15-19)35-30(41)36-17(2)9-8-10-18(36)3/h6-7,11,13,17-19,23-25,32H,4-5,8-10,12,14-16H2,1-3H3,(H,33,37)(H,34,38)(H,35,41)(H,39,40)/t17-,18+,23?,24-,25?/m1/s1
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n/an/a 0.810n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards endothelin B receptor in porcine cerebellum membranes

J Med Chem 39: 2313-30 (1996)


Article DOI: 10.1021/jm9600914
BindingDB Entry DOI: 10.7270/Q2XS5W2G
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50061074
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(3-fluoro-4-m...)
Show SMILES CCCCCS(=O)(=O)N(CCC)CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)c(F)c1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H39FN2O7S/c1-4-6-7-15-40(35,36)32(12-5-2)14-13-31-18-22(20-8-11-25-26(17-20)39-19-38-25)27(29(33)34)28(31)21-9-10-24(37-3)23(30)16-21/h8-11,16-17,22,27-28H,4-7,12-15,18-19H2,1-3H3,(H,33,34)/t22-,27-,28+/m1/s1
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n/an/a 0.850n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to displace endothelin ([125I]-ET-3) from endothelin B receptor derived from cerebellar tissue of porcine.

J Med Chem 40: 3217-27 (1997)


Article DOI: 10.1021/jm970101g
BindingDB Entry DOI: 10.7270/Q2C24VJR
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50061074
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(3-fluoro-4-m...)
Show SMILES CCCCCS(=O)(=O)N(CCC)CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)c(F)c1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H39FN2O7S/c1-4-6-7-15-40(35,36)32(12-5-2)14-13-31-18-22(20-8-11-25-26(17-20)39-19-38-25)27(29(33)34)28(31)21-9-10-24(37-3)23(30)16-21/h8-11,16-17,22,27-28H,4-7,12-15,18-19H2,1-3H3,(H,33,34)/t22-,27-,28+/m1/s1
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n/an/a 0.850n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to displace endothelin ([125I]-ET-3) from endothelin B receptor derived from cerebellar tissue of porcine.

J Med Chem 40: 3217-27 (1997)


Article DOI: 10.1021/jm970101g
BindingDB Entry DOI: 10.7270/Q2C24VJR
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50532579
PNG
(CHEMBL4451582)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCC(=O)Nc1ccccc1C(C)C)N1CCOCC1
Show InChI InChI=1S/C37H45N5O7S/c1-25(2)28-11-7-8-12-29(28)38-32(43)19-22-48-35-33(49-31-14-10-9-13-30(31)46-6)34(39-36(40-35)42-20-23-47-24-21-42)41-50(44,45)27-17-15-26(16-18-27)37(3,4)5/h7-18,25H,19-24H2,1-6H3,(H,38,43)(H,39,40,41)
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n/an/a 0.860n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of 125I-ET1 from pig ETB receptor transfected in grivet COS7 cells

Bioorg Med Chem Lett 26: 3381-94 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.014
BindingDB Entry DOI: 10.7270/Q26113SR
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50532579
PNG
(CHEMBL4451582)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCC(=O)Nc1ccccc1C(C)C)N1CCOCC1
Show InChI InChI=1S/C37H45N5O7S/c1-25(2)28-11-7-8-12-29(28)38-32(43)19-22-48-35-33(49-31-14-10-9-13-30(31)46-6)34(39-36(40-35)42-20-23-47-24-21-42)41-50(44,45)27-17-15-26(16-18-27)37(3,4)5/h7-18,25H,19-24H2,1-6H3,(H,38,43)(H,39,40,41)
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n/an/a 0.860n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of 125I-ET1 from pig ETB receptor transfected in grivet COS7 cells

Bioorg Med Chem Lett 26: 3381-94 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.014
BindingDB Entry DOI: 10.7270/Q26113SR
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50061078
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(3-fluoro-4-m...)
Show SMILES CCCN(CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)c(F)c1)C(O)=O)c1ccc2OCOc2c1)S(=O)(=O)CCCC(F)(F)F
Show InChI InChI=1S/C28H34F4N2O7S/c1-3-10-34(42(37,38)13-4-9-28(30,31)32)12-11-33-16-20(18-5-8-23-24(15-18)41-17-40-23)25(27(35)36)26(33)19-6-7-22(39-2)21(29)14-19/h5-8,14-15,20,25-26H,3-4,9-13,16-17H2,1-2H3,(H,35,36)/t20-,25-,26+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to displace endothelin ([125I]-ET-3) from endothelin B receptor derived from cerebellar tissue of porcine.

J Med Chem 40: 3217-27 (1997)


Article DOI: 10.1021/jm970101g
BindingDB Entry DOI: 10.7270/Q2C24VJR
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50061078
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(3-fluoro-4-m...)
Show SMILES CCCN(CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)c(F)c1)C(O)=O)c1ccc2OCOc2c1)S(=O)(=O)CCCC(F)(F)F
Show InChI InChI=1S/C28H34F4N2O7S/c1-3-10-34(42(37,38)13-4-9-28(30,31)32)12-11-33-16-20(18-5-8-23-24(15-18)41-17-40-23)25(27(35)36)26(33)19-6-7-22(39-2)21(29)14-19/h5-8,14-15,20,25-26H,3-4,9-13,16-17H2,1-2H3,(H,35,36)/t20-,25-,26+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to displace endothelin ([125I]-ET-3) from endothelin B receptor derived from cerebellar tissue of porcine.

J Med Chem 40: 3217-27 (1997)


Article DOI: 10.1021/jm970101g
BindingDB Entry DOI: 10.7270/Q2C24VJR
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50061093
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(3-fluoro-4-m...)
Show SMILES CCCN(CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)c(F)c1)C(O)=O)c1ccc2OCOc2c1)S(=O)(=O)CCC(C)C
Show InChI InChI=1S/C29H39FN2O7S/c1-5-11-32(40(35,36)14-10-19(2)3)13-12-31-17-22(20-6-9-25-26(16-20)39-18-38-25)27(29(33)34)28(31)21-7-8-24(37-4)23(30)15-21/h6-9,15-16,19,22,27-28H,5,10-14,17-18H2,1-4H3,(H,33,34)/t22-,27-,28+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to displace endothelin ([125I]-ET-3) from endothelin B receptor derived from cerebellar tissue of porcine.

J Med Chem 40: 3217-27 (1997)


Article DOI: 10.1021/jm970101g
BindingDB Entry DOI: 10.7270/Q2C24VJR
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50284774
PNG
(3-((R)-2-((S)-1-Carboxy-pentylcarbamoyl)-2-{2-[((2...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1cn(C(=O)OC)c2ccccc12)NC(=O)C(CC(C)(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C(O)=O
Show InChI InChI=1S/C34H51N5O7/c1-8-9-16-25(31(42)43)35-29(40)26(18-23-20-38(33(45)46-7)28-17-11-10-15-24(23)28)36-30(41)27(19-34(4,5)6)37-32(44)39-21(2)13-12-14-22(39)3/h10-11,15,17,20-22,25-27H,8-9,12-14,16,18-19H2,1-7H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43)/t21-,22+,25-,26+,27?/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 125 I-labeled ET-1 binding to Endothelin B receptor in porcine cerebellum membranes

Bioorg Med Chem Lett 5: 1483-1488 (1995)


Article DOI: 10.1016/0960-894X(95)00237-N
BindingDB Entry DOI: 10.7270/Q27D2VM3
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50051410
PNG
(2-((R)-3-(2-Chloro-1H-indol-3-yl)-2-{2-cyclopropyl...)
Show SMILES CCCCC(NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc12)NC(=O)C(NC(=O)N1[C@@H](C)CCC[C@H]1C)C1CC1)C(O)=O
Show InChI InChI=1S/C30H42ClN5O5/c1-4-5-12-23(29(39)40)33-27(37)24(16-21-20-11-6-7-13-22(20)32-26(21)31)34-28(38)25(19-14-15-19)35-30(41)36-17(2)9-8-10-18(36)3/h6-7,11,13,17-19,23-25,32H,4-5,8-10,12,14-16H2,1-3H3,(H,33,37)(H,34,38)(H,35,41)(H,39,40)/t17-,18+,23?,24-,25?/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards endothelin B receptor in porcine cerebellum membranes

J Med Chem 39: 2313-30 (1996)


Article DOI: 10.1021/jm9600914
BindingDB Entry DOI: 10.7270/Q2XS5W2G
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50061085
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(3-fluoro-4-m...)
Show SMILES CCCCCCS(=O)(=O)N(CCC)CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)c(F)c1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C30H41FN2O7S/c1-4-6-7-8-16-41(36,37)33(13-5-2)15-14-32-19-23(21-9-12-26-27(18-21)40-20-39-26)28(30(34)35)29(32)22-10-11-25(38-3)24(31)17-22/h9-12,17-18,23,28-29H,4-8,13-16,19-20H2,1-3H3,(H,34,35)/t23-,28-,29+/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to displace endothelin ([125I]-ET-3) from endothelin B receptor derived from cerebellar tissue of porcine.

J Med Chem 40: 3217-27 (1997)


Article DOI: 10.1021/jm970101g
BindingDB Entry DOI: 10.7270/Q2C24VJR
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50061085
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(3-fluoro-4-m...)
Show SMILES CCCCCCS(=O)(=O)N(CCC)CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)c(F)c1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C30H41FN2O7S/c1-4-6-7-8-16-41(36,37)33(13-5-2)15-14-32-19-23(21-9-12-26-27(18-21)40-20-39-26)28(30(34)35)29(32)22-10-11-25(38-3)24(31)17-22/h9-12,17-18,23,28-29H,4-8,13-16,19-20H2,1-3H3,(H,34,35)/t23-,28-,29+/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to displace endothelin ([125I]-ET-3) from endothelin B receptor derived from cerebellar tissue of porcine.

J Med Chem 40: 3217-27 (1997)


Article DOI: 10.1021/jm970101g
BindingDB Entry DOI: 10.7270/Q2C24VJR
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50284770
PNG
((S)-2-((R)-3-(2-Cyano-1H-indol-3-yl)-2-{2-[((2R,6S...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1c([nH]c2ccccc12)C#N)NC(=O)C(CC(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C(O)=O
Show InChI InChI=1S/C32H46N6O5/c1-6-7-14-25(31(41)42)35-30(40)27(17-23-22-13-8-9-15-24(22)34-28(23)18-33)36-29(39)26(16-19(2)3)37-32(43)38-20(4)11-10-12-21(38)5/h8-9,13,15,19-21,25-27,34H,6-7,10-12,14,16-17H2,1-5H3,(H,35,40)(H,36,39)(H,37,43)(H,41,42)/t20-,21+,25-,26?,27+/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 125 I-labeled ET-1 binding to Endothelin B receptor in porcine cerebellum membranes

Bioorg Med Chem Lett 5: 1483-1488 (1995)


Article DOI: 10.1016/0960-894X(95)00237-N
BindingDB Entry DOI: 10.7270/Q27D2VM3
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50051403
PNG
(2-((R)-3-(2-Cyano-1H-indol-3-yl)-2-{2-[((2S,6R)-2,...)
Show SMILES CCCCC(NC(=O)[C@@H](Cc1c([nH]c2ccccc12)C#N)NC(=O)C(CC(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C(O)=O
Show InChI InChI=1S/C32H46N6O5/c1-6-7-14-25(31(41)42)35-30(40)27(17-23-22-13-8-9-15-24(22)34-28(23)18-33)36-29(39)26(16-19(2)3)37-32(43)38-20(4)11-10-12-21(38)5/h8-9,13,15,19-21,25-27,34H,6-7,10-12,14,16-17H2,1-5H3,(H,35,40)(H,36,39)(H,37,43)(H,41,42)/t20-,21+,25?,26?,27-/m1/s1
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards endothelin B receptor in porcine cerebellum membranes

J Med Chem 39: 2313-30 (1996)


Article DOI: 10.1021/jm9600914
BindingDB Entry DOI: 10.7270/Q2XS5W2G
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50061099
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(3-fluoro-4-m...)
Show SMILES CCCN(CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)c(F)c1)C(O)=O)c1ccc2OCOc2c1)S(=O)(=O)CC(C)C
Show InChI InChI=1S/C28H37FN2O7S/c1-5-10-31(39(34,35)16-18(2)3)12-11-30-15-21(19-6-9-24-25(14-19)38-17-37-24)26(28(32)33)27(30)20-7-8-23(36-4)22(29)13-20/h6-9,13-14,18,21,26-27H,5,10-12,15-17H2,1-4H3,(H,32,33)/t21-,26-,27+/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to displace endothelin ([125I]-ET-3) from endothelin B receptor derived from cerebellar tissue of porcine.

J Med Chem 40: 3217-27 (1997)


Article DOI: 10.1021/jm970101g
BindingDB Entry DOI: 10.7270/Q2C24VJR
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50051406
PNG
(2-((R)-3-(2-Bromo-1H-indol-3-yl)-2-{2-[((2S,6R)-2,...)
Show SMILES CCSCC(NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc12)NC(=O)C(CC(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C(O)=O
Show InChI InChI=1S/C30H44BrN5O5S/c1-6-42-16-25(29(39)40)34-28(38)24(15-21-20-12-7-8-13-22(20)32-26(21)31)33-27(37)23(14-17(2)3)35-30(41)36-18(4)10-9-11-19(36)5/h7-8,12-13,17-19,23-25,32H,6,9-11,14-16H2,1-5H3,(H,33,37)(H,34,38)(H,35,41)(H,39,40)/t18-,19+,23?,24-,25?/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards endothelin B receptor in porcine cerebellum membranes

J Med Chem 39: 2313-30 (1996)


Article DOI: 10.1021/jm9600914
BindingDB Entry DOI: 10.7270/Q2XS5W2G
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50051395
PNG
(2-((R)-3-(2-Bromo-1H-indol-3-yl)-2-{2-[((2S,6R)-2,...)
Show SMILES CCCSCC(NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc12)NC(=O)C(CC(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C(O)=O
Show InChI InChI=1S/C31H46BrN5O5S/c1-6-14-43-17-26(30(40)41)35-29(39)25(16-22-21-12-7-8-13-23(21)33-27(22)32)34-28(38)24(15-18(2)3)36-31(42)37-19(4)10-9-11-20(37)5/h7-8,12-13,18-20,24-26,33H,6,9-11,14-17H2,1-5H3,(H,34,38)(H,35,39)(H,36,42)(H,40,41)/t19-,20+,24?,25-,26?/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards endothelin B receptor in porcine cerebellum membranes

J Med Chem 39: 2313-30 (1996)


Article DOI: 10.1021/jm9600914
BindingDB Entry DOI: 10.7270/Q2XS5W2G
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50091535
PNG
(4-tert-Butyl-N-[4-(3-methoxy-phenylsulfanyl)-5-(4-...)
Show SMILES COc1cccc(Sc2c(CCCC=O)onc2NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c1
Show InChI InChI=1S/C24H28N2O5S2/c1-24(2,3)17-11-13-20(14-12-17)33(28,29)26-23-22(21(31-25-23)10-5-6-15-27)32-19-9-7-8-18(16-19)30-4/h7-9,11-16H,5-6,10H2,1-4H3,(H,25,26)
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n/an/a 2n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards displacement of [125 I] ET-3 from COS-7 cells transfected with porcine Endothelin B receptor

Bioorg Med Chem Lett 10: 1875-8 (2000)


BindingDB Entry DOI: 10.7270/Q2CJ8CQJ
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50091535
PNG
(4-tert-Butyl-N-[4-(3-methoxy-phenylsulfanyl)-5-(4-...)
Show SMILES COc1cccc(Sc2c(CCCC=O)onc2NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c1
Show InChI InChI=1S/C24H28N2O5S2/c1-24(2,3)17-11-13-20(14-12-17)33(28,29)26-23-22(21(31-25-23)10-5-6-15-27)32-19-9-7-8-18(16-19)30-4/h7-9,11-16H,5-6,10H2,1-4H3,(H,25,26)
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of 125I-ET1 from pig ETB receptor transfected in grivet COS7 cells

Bioorg Med Chem Lett 26: 3381-94 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.014
BindingDB Entry DOI: 10.7270/Q26113SR
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50091535
PNG
(4-tert-Butyl-N-[4-(3-methoxy-phenylsulfanyl)-5-(4-...)
Show SMILES COc1cccc(Sc2c(CCCC=O)onc2NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c1
Show InChI InChI=1S/C24H28N2O5S2/c1-24(2,3)17-11-13-20(14-12-17)33(28,29)26-23-22(21(31-25-23)10-5-6-15-27)32-19-9-7-8-18(16-19)30-4/h7-9,11-16H,5-6,10H2,1-4H3,(H,25,26)
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of 125I-ET1 from pig ETB receptor transfected in grivet COS7 cells

Bioorg Med Chem Lett 26: 3381-94 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.014
BindingDB Entry DOI: 10.7270/Q26113SR
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50051423
PNG
(2-((R)-3-(2-Bromo-1H-indol-3-yl)-2-{2-[((2S,6R)-2,...)
Show SMILES CCCC(NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc12)NC(=O)C(CC(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C(O)=O
Show InChI InChI=1S/C30H44BrN5O5/c1-6-10-23(29(39)40)33-28(38)25(16-21-20-13-7-8-14-22(20)32-26(21)31)34-27(37)24(15-17(2)3)35-30(41)36-18(4)11-9-12-19(36)5/h7-8,13-14,17-19,23-25,32H,6,9-12,15-16H2,1-5H3,(H,33,38)(H,34,37)(H,35,41)(H,39,40)/t18-,19+,23?,24?,25-/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards endothelin B receptor in porcine cerebellum membranes

J Med Chem 39: 2313-30 (1996)


Article DOI: 10.1021/jm9600914
BindingDB Entry DOI: 10.7270/Q2XS5W2G
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50284768
PNG
((S)-2-((R)-3-(2-Cyano-1H-indol-3-yl)-2-{2-[((2R,6S...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1c([nH]c2ccccc12)C#N)NC(=O)C(NC(=O)N1[C@@H](C)CCC[C@H]1C)C(C)C)C(O)=O
Show InChI InChI=1S/C31H44N6O5/c1-6-7-14-24(30(40)41)34-28(38)25(16-22-21-13-8-9-15-23(21)33-26(22)17-32)35-29(39)27(18(2)3)36-31(42)37-19(4)11-10-12-20(37)5/h8-9,13,15,18-20,24-25,27,33H,6-7,10-12,14,16H2,1-5H3,(H,34,38)(H,35,39)(H,36,42)(H,40,41)/t19-,20+,24-,25+,27?/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 125 I-labeled ET-1 binding to Endothelin B receptor in porcine cerebellum membranes

Bioorg Med Chem Lett 5: 1483-1488 (1995)


Article DOI: 10.1016/0960-894X(95)00237-N
BindingDB Entry DOI: 10.7270/Q27D2VM3
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50051388
PNG
(2-((R)-3-(2-Cyano-1H-indol-3-yl)-2-{2-[((2S,6R)-2,...)
Show SMILES CCCCC(NC(=O)[C@@H](Cc1c([nH]c2ccccc12)C#N)NC(=O)C(NC(=O)N1[C@@H](C)CCC[C@H]1C)C(C)C)C(O)=O
Show InChI InChI=1S/C31H44N6O5/c1-6-7-14-24(30(40)41)34-28(38)25(16-22-21-13-8-9-15-23(21)33-26(22)17-32)35-29(39)27(18(2)3)36-31(42)37-19(4)11-10-12-20(37)5/h8-9,13,15,18-20,24-25,27,33H,6-7,10-12,14,16H2,1-5H3,(H,34,38)(H,35,39)(H,36,42)(H,40,41)/t19-,20+,24?,25-,27?/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards endothelin B receptor in porcine cerebellum membranes

J Med Chem 39: 2313-30 (1996)


Article DOI: 10.1021/jm9600914
BindingDB Entry DOI: 10.7270/Q2XS5W2G
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50051416
PNG
(2-((R)-3-(2-Bromo-1H-indol-3-yl)-2-{2-[((2S,6R)-2,...)
Show SMILES CCCCC(NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc12)NC(=O)C(CC(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C(O)=O
Show InChI InChI=1S/C31H46BrN5O5/c1-6-7-14-24(30(40)41)34-29(39)26(17-22-21-13-8-9-15-23(21)33-27(22)32)35-28(38)25(16-18(2)3)36-31(42)37-19(4)11-10-12-20(37)5/h8-9,13,15,18-20,24-26,33H,6-7,10-12,14,16-17H2,1-5H3,(H,34,39)(H,35,38)(H,36,42)(H,40,41)/t19-,20+,24?,25?,26-/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards endothelin B receptor in porcine cerebellum membranes

J Med Chem 39: 2313-30 (1996)


Article DOI: 10.1021/jm9600914
BindingDB Entry DOI: 10.7270/Q2XS5W2G
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50284775
PNG
((S)-2-((R)-3-(2-Bromo-1H-indol-3-yl)-2-{2-[((2R,6S...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc12)NC(=O)C(CC(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C(O)=O
Show InChI InChI=1S/C31H46BrN5O5/c1-6-7-14-24(30(40)41)34-29(39)26(17-22-21-13-8-9-15-23(21)33-27(22)32)35-28(38)25(16-18(2)3)36-31(42)37-19(4)11-10-12-20(37)5/h8-9,13,15,18-20,24-26,33H,6-7,10-12,14,16-17H2,1-5H3,(H,34,39)(H,35,38)(H,36,42)(H,40,41)/t19-,20+,24-,25?,26+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 125 I-labeled ET-1 binding to Endothelin B receptor in porcine cerebellum membranes

Bioorg Med Chem Lett 5: 1483-1488 (1995)


Article DOI: 10.1016/0960-894X(95)00237-N
BindingDB Entry DOI: 10.7270/Q27D2VM3
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50061073
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-ethoxy-3-f...)
Show SMILES CCCCCS(=O)(=O)N(CCC)CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OCC)c(F)c1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C30H41FN2O7S/c1-4-7-8-16-41(36,37)33(13-5-2)15-14-32-19-23(21-9-12-26-27(18-21)40-20-39-26)28(30(34)35)29(32)22-10-11-25(38-6-3)24(31)17-22/h9-12,17-18,23,28-29H,4-8,13-16,19-20H2,1-3H3,(H,34,35)/t23-,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
Ability to displace endothelin ([125I]-ET-3) from endothelin B receptor derived from cerebellar tissue of porcine.

J Med Chem 40: 3217-27 (1997)


Article DOI: 10.1021/jm970101g
BindingDB Entry DOI: 10.7270/Q2C24VJR
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50051424
PNG
(2-((R)-3-(2-Chloro-1H-indol-3-yl)-2-{2-cyclopentyl...)
Show SMILES CCCCC(NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc12)NC(=O)C(NC(=O)N1[C@@H](C)CCC[C@H]1C)C1CCCC1)C(O)=O
Show InChI InChI=1S/C32H46ClN5O5/c1-4-5-16-25(31(41)42)35-29(39)26(18-23-22-15-8-9-17-24(22)34-28(23)33)36-30(40)27(21-13-6-7-14-21)37-32(43)38-19(2)11-10-12-20(38)3/h8-9,15,17,19-21,25-27,34H,4-7,10-14,16,18H2,1-3H3,(H,35,39)(H,36,40)(H,37,43)(H,41,42)/t19-,20+,25?,26-,27?/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards endothelin B receptor in porcine cerebellum membranes

J Med Chem 39: 2313-30 (1996)


Article DOI: 10.1021/jm9600914
BindingDB Entry DOI: 10.7270/Q2XS5W2G
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50051394
PNG
(2-[(R)-2-{2-Cyclopropyl-2-[((2R,6S)-2,6-dimethyl-p...)
Show SMILES CSCCC(NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc12)NC(=O)C(NC(=O)N1[C@@H](C)CCC[C@H]1C)C1CC1)C(O)=O
Show InChI InChI=1S/C30H43N5O5S/c1-17-8-7-9-18(2)35(17)30(40)34-26(20-12-13-20)28(37)33-25(27(36)32-24(29(38)39)14-15-41-4)16-22-19(3)31-23-11-6-5-10-21(22)23/h5-6,10-11,17-18,20,24-26,31H,7-9,12-16H2,1-4H3,(H,32,36)(H,33,37)(H,34,40)(H,38,39)/t17-,18+,24?,25-,26?/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards endothelin B receptor in porcine cerebellum membranes

J Med Chem 39: 2313-30 (1996)


Article DOI: 10.1021/jm9600914
BindingDB Entry DOI: 10.7270/Q2XS5W2G
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50051391
PNG
(2-[(R)-2-{2-Cyclopropyl-2-[((2R,6S)-2,6-dimethyl-p...)
Show SMILES CCCCC(NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc12)NC(=O)C(NC(=O)N1[C@@H](C)CCC[C@H]1C)C1CC1)C(O)=O
Show InChI InChI=1S/C31H45N5O5/c1-5-6-13-25(30(39)40)33-28(37)26(17-23-20(4)32-24-14-8-7-12-22(23)24)34-29(38)27(21-15-16-21)35-31(41)36-18(2)10-9-11-19(36)3/h7-8,12,14,18-19,21,25-27,32H,5-6,9-11,13,15-17H2,1-4H3,(H,33,37)(H,34,38)(H,35,41)(H,39,40)/t18-,19+,25?,26-,27?/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards endothelin B receptor in porcine cerebellum membranes

J Med Chem 39: 2313-30 (1996)


Article DOI: 10.1021/jm9600914
BindingDB Entry DOI: 10.7270/Q2XS5W2G
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50061104
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(3-fluoro-4-m...)
Show SMILES CCCN(CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)c(F)c1)C(O)=O)c1ccc2OCOc2c1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C31H35FN2O7S/c1-3-13-34(42(37,38)19-21-7-5-4-6-8-21)15-14-33-18-24(22-9-12-27-28(17-22)41-20-40-27)29(31(35)36)30(33)23-10-11-26(39-2)25(32)16-23/h4-12,16-17,24,29-30H,3,13-15,18-20H2,1-2H3,(H,35,36)/t24-,29-,30+/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to displace endothelin ([125I]-ET-3) from endothelin B receptor derived from cerebellar tissue of porcine.

J Med Chem 40: 3217-27 (1997)


Article DOI: 10.1021/jm970101g
BindingDB Entry DOI: 10.7270/Q2C24VJR
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50061088
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...)
Show SMILES CCCCCS(=O)(=O)N(CCC)CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H40N2O7S/c1-4-6-7-17-39(34,35)31(14-5-2)16-15-30-19-24(22-10-13-25-26(18-22)38-20-37-25)27(29(32)33)28(30)21-8-11-23(36-3)12-9-21/h8-13,18,24,27-28H,4-7,14-17,19-20H2,1-3H3,(H,32,33)/t24-,27-,28+/m1/s1
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n/an/a 4.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to displace endothelin ([125I]-ET-3) from endothelin B receptor derived from cerebellar tissue of porcine.

J Med Chem 40: 3217-27 (1997)


Article DOI: 10.1021/jm970101g
BindingDB Entry DOI: 10.7270/Q2C24VJR
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50051409
PNG
(2-((R)-3-(2-Bromo-1H-indol-3-yl)-2-{2-[((2S,6R)-2,...)
Show SMILES CC(C)CC(NC(=O)N1[C@@H](C)CCC[C@H]1C)C(=O)N[C@H](Cc1c(Br)[nH]c2ccccc12)C(=O)NC(CC=C)C(O)=O
Show InChI InChI=1S/C30H42BrN5O5/c1-6-10-23(29(39)40)33-28(38)25(16-21-20-13-7-8-14-22(20)32-26(21)31)34-27(37)24(15-17(2)3)35-30(41)36-18(4)11-9-12-19(36)5/h6-8,13-14,17-19,23-25,32H,1,9-12,15-16H2,2-5H3,(H,33,38)(H,34,37)(H,35,41)(H,39,40)/t18-,19+,23?,24?,25-/m1/s1
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards endothelin B receptor in porcine cerebellum membranes

J Med Chem 39: 2313-30 (1996)


Article DOI: 10.1021/jm9600914
BindingDB Entry DOI: 10.7270/Q2XS5W2G
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50051425
PNG
(2-((R)-3-(2-Bromo-1H-indol-3-yl)-2-{2-[((2S,6R)-2,...)
Show SMILES CSCCC(NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc12)NC(=O)C(CC(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C(O)=O
Show InChI InChI=1S/C30H44BrN5O5S/c1-17(2)15-24(35-30(41)36-18(3)9-8-10-19(36)4)27(37)34-25(28(38)33-23(29(39)40)13-14-42-5)16-21-20-11-6-7-12-22(20)32-26(21)31/h6-7,11-12,17-19,23-25,32H,8-10,13-16H2,1-5H3,(H,33,38)(H,34,37)(H,35,41)(H,39,40)/t18-,19+,23?,24?,25-/m1/s1
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n/an/a 4.5n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards endothelin B receptor in porcine cerebellum membranes

J Med Chem 39: 2313-30 (1996)


Article DOI: 10.1021/jm9600914
BindingDB Entry DOI: 10.7270/Q2XS5W2G
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50061103
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-{2-[(hexane-1...)
Show SMILES CCCCCCS(=O)(=O)N(CCC)CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C30H42N2O7S/c1-4-6-7-8-18-40(35,36)32(15-5-2)17-16-31-20-25(23-11-14-26-27(19-23)39-21-38-26)28(30(33)34)29(31)22-9-12-24(37-3)13-10-22/h9-14,19,25,28-29H,4-8,15-18,20-21H2,1-3H3,(H,33,34)/t25-,28-,29+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to displace endothelin ([125I]-ET-3) from endothelin B receptor derived from cerebellar tissue of porcine.

J Med Chem 40: 3217-27 (1997)


Article DOI: 10.1021/jm970101g
BindingDB Entry DOI: 10.7270/Q2C24VJR
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50051397
PNG
(2-((R)-3-(2-Chloro-1H-indol-3-yl)-2-{2-[((2S,6R)-2...)
Show SMILES CCCCC(NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc12)NC(=O)C(NC(=O)N1[C@@H](C)CCC[C@H]1C)C(C)CC)C(O)=O
Show InChI InChI=1S/C31H46ClN5O5/c1-6-8-15-24(30(40)41)34-28(38)25(17-22-21-14-9-10-16-23(21)33-27(22)32)35-29(39)26(18(3)7-2)36-31(42)37-19(4)12-11-13-20(37)5/h9-10,14,16,18-20,24-26,33H,6-8,11-13,15,17H2,1-5H3,(H,34,38)(H,35,39)(H,36,42)(H,40,41)/t18?,19-,20+,24?,25-,26?/m1/s1
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards endothelin B receptor in porcine cerebellum membranes

J Med Chem 39: 2313-30 (1996)


Article DOI: 10.1021/jm9600914
BindingDB Entry DOI: 10.7270/Q2XS5W2G
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50051407
PNG
(2-((R)-3-(2-Chloro-1H-indol-3-yl)-2-{2-[((2S,6R)-2...)
Show SMILES CCCCC(NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc12)NC(=O)C(NC(=O)N1[C@@H](C)CCC[C@H]1C)C(C)C)C(O)=O
Show InChI InChI=1S/C30H44ClN5O5/c1-6-7-14-23(29(39)40)33-27(37)24(16-21-20-13-8-9-15-22(20)32-26(21)31)34-28(38)25(17(2)3)35-30(41)36-18(4)11-10-12-19(36)5/h8-9,13,15,17-19,23-25,32H,6-7,10-12,14,16H2,1-5H3,(H,33,37)(H,34,38)(H,35,41)(H,39,40)/t18-,19+,23?,24-,25?/m1/s1
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards endothelin B receptor in porcine cerebellum membranes

J Med Chem 39: 2313-30 (1996)


Article DOI: 10.1021/jm9600914
BindingDB Entry DOI: 10.7270/Q2XS5W2G
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50051427
PNG
(2-[(R)-2-{2-[((2S,6R)-2,6-Dimethyl-piperidine-1-ca...)
Show SMILES CCCCC(NC(=O)[C@@H](Cc1c(CC)[nH]c2ccccc12)NC(=O)C(CC(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C(O)=O
Show InChI InChI=1S/C33H51N5O5/c1-7-9-16-27(32(41)42)35-31(40)29(19-24-23-15-10-11-17-26(23)34-25(24)8-2)36-30(39)28(18-20(3)4)37-33(43)38-21(5)13-12-14-22(38)6/h10-11,15,17,20-22,27-29,34H,7-9,12-14,16,18-19H2,1-6H3,(H,35,40)(H,36,39)(H,37,43)(H,41,42)/t21-,22+,27?,28?,29-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards endothelin B receptor in porcine cerebellum membranes

J Med Chem 39: 2313-30 (1996)


Article DOI: 10.1021/jm9600914
BindingDB Entry DOI: 10.7270/Q2XS5W2G
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50284773
PNG
((S)-2-[(R)-2-{2-[((2R,6S)-2,6-Dimethyl-piperidine-...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1c(CC)[nH]c2ccccc12)NC(=O)C(CC(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C(O)=O
Show InChI InChI=1S/C33H51N5O5/c1-7-9-16-27(32(41)42)35-31(40)29(19-24-23-15-10-11-17-26(23)34-25(24)8-2)36-30(39)28(18-20(3)4)37-33(43)38-21(5)13-12-14-22(38)6/h10-11,15,17,20-22,27-29,34H,7-9,12-14,16,18-19H2,1-6H3,(H,35,40)(H,36,39)(H,37,43)(H,41,42)/t21-,22+,27-,28?,29+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 125 I-labeled ET-1 binding to Endothelin B receptor in porcine cerebellum membranes

Bioorg Med Chem Lett 5: 1483-1488 (1995)


Article DOI: 10.1016/0960-894X(95)00237-N
BindingDB Entry DOI: 10.7270/Q27D2VM3
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50061081
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxymet...)
Show SMILES CCCCCS(=O)(=O)N(CCC)CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OCOC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C30H42N2O8S/c1-4-6-7-17-41(35,36)32(14-5-2)16-15-31-19-25(23-10-13-26-27(18-23)40-21-39-26)28(30(33)34)29(31)22-8-11-24(12-9-22)38-20-37-3/h8-13,18,25,28-29H,4-7,14-17,19-21H2,1-3H3,(H,33,34)/t25-,28-,29+/m1/s1
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n/an/a 5.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to displace endothelin ([125I]-ET-3) from endothelin B receptor derived from cerebellar tissue of porcine.

J Med Chem 40: 3217-27 (1997)


Article DOI: 10.1021/jm970101g
BindingDB Entry DOI: 10.7270/Q2C24VJR
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50061105
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...)
Show SMILES CCCN(CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1)S(=O)(=O)CC(C)C
Show InChI InChI=1S/C28H38N2O7S/c1-5-12-30(38(33,34)17-19(2)3)14-13-29-16-23(21-8-11-24-25(15-21)37-18-36-24)26(28(31)32)27(29)20-6-9-22(35-4)10-7-20/h6-11,15,19,23,26-27H,5,12-14,16-18H2,1-4H3,(H,31,32)/t23-,26-,27+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to displace endothelin ([125I]-ET-3) from endothelin B receptor derived from cerebellar tissue of porcine.

J Med Chem 40: 3217-27 (1997)


Article DOI: 10.1021/jm970101g
BindingDB Entry DOI: 10.7270/Q2C24VJR
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50051426
PNG
(2-((R)-3-(2-Cyano-1H-indol-3-yl)-2-{2-[((2S,6R)-2,...)
Show SMILES CCCC(NC(=O)[C@@H](Cc1c([nH]c2ccccc12)C#N)NC(=O)C(NC(=O)N1[C@@H](C)CCC[C@H]1C)C(C)C)C(O)=O
Show InChI InChI=1S/C30H42N6O5/c1-6-10-23(29(39)40)33-27(37)24(15-21-20-13-7-8-14-22(20)32-25(21)16-31)34-28(38)26(17(2)3)35-30(41)36-18(4)11-9-12-19(36)5/h7-8,13-14,17-19,23-24,26,32H,6,9-12,15H2,1-5H3,(H,33,37)(H,34,38)(H,35,41)(H,39,40)/t18-,19+,23?,24-,26?/m1/s1
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n/an/a 5.60n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards endothelin B receptor in porcine cerebellum membranes

J Med Chem 39: 2313-30 (1996)


Article DOI: 10.1021/jm9600914
BindingDB Entry DOI: 10.7270/Q2XS5W2G
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50284771
PNG
((S)-2-((R)-3-(2-Chloro-1H-indol-3-yl)-2-{2-[((2R,6...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc12)NC(=O)C(CC(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C(O)=O
Show InChI InChI=1S/C31H46ClN5O5/c1-6-7-14-24(30(40)41)34-29(39)26(17-22-21-13-8-9-15-23(21)33-27(22)32)35-28(38)25(16-18(2)3)36-31(42)37-19(4)11-10-12-20(37)5/h8-9,13,15,18-20,24-26,33H,6-7,10-12,14,16-17H2,1-5H3,(H,34,39)(H,35,38)(H,36,42)(H,40,41)/t19-,20+,24-,25?,26+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 125 I-labeled ET-1 binding to Endothelin B receptor in porcine cerebellum membranes

Bioorg Med Chem Lett 5: 1483-1488 (1995)


Article DOI: 10.1016/0960-894X(95)00237-N
BindingDB Entry DOI: 10.7270/Q27D2VM3
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50051393
PNG
(2-((R)-3-(2-Chloro-1H-indol-3-yl)-2-{2-[((2S,6R)-2...)
Show SMILES CCCCC(NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc12)NC(=O)C(CC(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C(O)=O
Show InChI InChI=1S/C31H46ClN5O5/c1-6-7-14-24(30(40)41)34-29(39)26(17-22-21-13-8-9-15-23(21)33-27(22)32)35-28(38)25(16-18(2)3)36-31(42)37-19(4)11-10-12-20(37)5/h8-9,13,15,18-20,24-26,33H,6-7,10-12,14,16-17H2,1-5H3,(H,34,39)(H,35,38)(H,36,42)(H,40,41)/t19-,20+,24?,25?,26-/m1/s1
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n/an/a 5.60n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards endothelin B receptor in porcine cerebellum membranes

J Med Chem 39: 2313-30 (1996)


Article DOI: 10.1021/jm9600914
BindingDB Entry DOI: 10.7270/Q2XS5W2G
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50051422
PNG
(2-((R)-3-(2-Chloro-1H-indol-3-yl)-2-{2-[((2S,6R)-2...)
Show SMILES CCCCC(NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc12)NC(=O)C(CCCC)NC(=O)N1[C@@H](C)CCC[C@H]1C)C(O)=O
Show InChI InChI=1S/C31H46ClN5O5/c1-5-7-15-24(36-31(42)37-19(3)12-11-13-20(37)4)28(38)35-26(29(39)34-25(30(40)41)16-8-6-2)18-22-21-14-9-10-17-23(21)33-27(22)32/h9-10,14,17,19-20,24-26,33H,5-8,11-13,15-16,18H2,1-4H3,(H,34,39)(H,35,38)(H,36,42)(H,40,41)/t19-,20+,24?,25?,26-/m1/s1
PDB

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Article
PubMed
n/an/a 6.10n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards endothelin B receptor in porcine cerebellum membranes

J Med Chem 39: 2313-30 (1996)


Article DOI: 10.1021/jm9600914
BindingDB Entry DOI: 10.7270/Q2XS5W2G
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Sus scrofa)		BDBM50051412
PNG
(2-((R)-3-(2-Chloro-1H-indol-3-yl)-2-{3-cyclopropyl...)
Show SMILES CCCCC(NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc12)NC(=O)C(CC1CC1)NC(=O)N1[C@@H](C)CCC[C@H]1C)C(O)=O
Show InChI InChI=1S/C31H44ClN5O5/c1-4-5-12-24(30(40)41)34-29(39)26(17-22-21-11-6-7-13-23(21)33-27(22)32)35-28(38)25(16-20-14-15-20)36-31(42)37-18(2)9-8-10-19(37)3/h6-7,11,13,18-20,24-26,33H,4-5,8-10,12,14-17H2,1-3H3,(H,34,39)(H,35,38)(H,36,42)(H,40,41)/t18-,19+,24?,25?,26-/m1/s1
PDB

Reactome pathway
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UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.20n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards endothelin B receptor in porcine cerebellum membranes

J Med Chem 39: 2313-30 (1996)


Article DOI: 10.1021/jm9600914
BindingDB Entry DOI: 10.7270/Q2XS5W2G
More data for this
Ligand-Target Pair
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