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Articleid 50034796

Compile data set for download or QSAR
Found 20 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 receptor type B


(Homo sapiens (Human))		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 0.800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Functional inhibition of ET-1 induced [Ca2+] increase in human Girardi heart (hGH) cells, which express Endothelin B receptor

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)		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)		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)		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)		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)		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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n/an/a 2.5n/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-1 receptor


(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 3.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 125 I-labeled ET-1 binding to Endothelin A receptor in porcine aortic smooth muscle 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


(Homo sapiens (Human))		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 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Functional inhibition of ET-1 induced [Ca2+] increase in human Girardi heart (hGH) cells, which express Endothelin B receptor

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)		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-1 receptor


(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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n/an/a 5.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 125 I-labeled ET-1 binding to Endothelin A receptor in porcine aortic smooth muscle 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)		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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n/an/a 5.60n/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-1 receptor


(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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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 125 I-labeled ET-1 binding to Endothelin A receptor in porcine aortic smooth muscle 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-1 receptor


(Homo sapiens (Human))		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 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Functional inhibition of ET-1 induced [Ca2+] increase in human neuroblastoma-derived SK-N-MC cells, which express Endothelin A receptor

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-1 receptor


(Sus scrofa)		BDBM50329850
PNG
((R)-3-Amino-4-[(S)-2-((R)-1-{(S)-1-[(R)-1-(1H-indo...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C |r|
Show InChI InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23-,24-,26+/m0/s1
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n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 125 I-labeled ET-1 binding to Endothelin A receptor in porcine aortic smooth muscle 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-1 receptor


(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 180n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 125 I-labeled ET-1 binding to Endothelin A receptor in porcine aortic smooth muscle 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-1 receptor


(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 280n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 125 I-labeled ET-1 binding to Endothelin A receptor in porcine aortic smooth muscle 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-1 receptor


(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 474n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 125 I-labeled ET-1 binding to Endothelin A receptor in porcine aortic smooth muscle 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-1 receptor


(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 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 125 I-labeled ET-1 binding to Endothelin A receptor in porcine aortic smooth muscle 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-1 receptor


(Homo sapiens (Human))		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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UniProtKB/SwissProt

antibodypedia
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n/an/a 6.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Functional inhibition of ET-1 induced [Ca2+] increase in human neuroblastoma-derived SK-N-MC cells, which express Endothelin A receptor

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)		BDBM50329850
PNG
((R)-3-Amino-4-[(S)-2-((R)-1-{(S)-1-[(R)-1-(1H-indo...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C |r|
Show InChI InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23-,24-,26+/m0/s1
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n/an/a 1.80E+4n/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
* indicates data uncertainty>20%