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PubMed code 1317926

Compile data set for download or QSAR
Found 18 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 ET-A


(Sus scrofa)
BDBM50000737
PNG
(CHEMBL303185 | [8-(1H-Indol-3-ylmethyl)-11-isobuty...)
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
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
Binding activity against Endothelin A receptor of Porcine aortic smooth muscle membranes


Citation and Details
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50000741
PNG
(CHEMBL293874 | [14-(1H-Indol-3-ylmethyl)-11-isobut...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)CN(C)C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C
Show InChI InChI=1S/C29H40N6O7/c1-15(2)10-20-26(39)31-21(11-17-13-30-19-9-7-6-8-18(17)19)27(40)33-22(12-24(37)38)29(42)35(5)14-23(36)34-25(16(3)4)28(41)32-20/h6-9,13,15-16,20-22,25,30H,10-12,14H2,1-5H3,(H,31,39)(H,32,41)(H,33,40)(H,34,36)(H,37,38)/t20-,21+,22-,25-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity against Endothelin A receptor of Porcine aortic smooth muscle membranes


Citation and Details
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50000735
PNG
(CHEMBL303204 | [14-(1H-Indol-3-ylmethyl)-11-isobut...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C
Show InChI InChI=1S/C30H42N6O7/c1-15(2)11-21-27(40)32-22(12-18-14-31-20-10-8-7-9-19(18)20)28(41)34-23(13-24(37)38)30(43)36(6)17(5)26(39)35-25(16(3)4)29(42)33-21/h7-10,14-17,21-23,25,31H,11-13H2,1-6H3,(H,32,40)(H,33,42)(H,34,41)(H,35,39)(H,37,38)/t17-,21-,22+,23-,25-/m0/s1
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n/an/a 34n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity against Endothelin A receptor of Porcine aortic smooth muscle membranes


Citation and Details
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50000739
PNG
(CHEMBL307324 | [8-(1H-Indol-3-ylmethyl)-11-isobuty...)
Show SMILES CC(C)C[C@@H]1N(C)C(=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
Show InChI InChI=1S/C32H44N6O7/c1-17(2)13-25-30(43)34-22(14-19-16-33-21-10-7-6-9-20(19)21)28(41)35-23(15-26(39)40)31(44)38-12-8-11-24(38)29(42)36-27(18(3)4)32(45)37(25)5/h6-7,9-10,16-18,22-25,27,33H,8,11-15H2,1-5H3,(H,34,43)(H,35,41)(H,36,42)(H,39,40)/t22-,23+,24+,25+,27+/m1/s1
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n/an/a 35n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity against Endothelin A receptor of Porcine aortic smooth muscle membranes


Citation and Details
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50000733
PNG
(CHEMBL302776 | [14-(1H-Indol-3-ylmethyl)-11-isobut...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C
Show InChI InChI=1S/C29H40N6O7/c1-14(2)10-20-27(40)32-21(11-17-13-30-19-9-7-6-8-18(17)19)28(41)33-22(12-23(36)37)26(39)31-16(5)25(38)35-24(15(3)4)29(42)34-20/h6-9,13-16,20-22,24,30H,10-12H2,1-5H3,(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,38)(H,36,37)/t16-,20-,21+,22-,24-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Binding activity against Endothelin A receptor of Porcine aortic smooth muscle membranes


Citation and Details
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50000736
PNG
(3-[8-(1H-Indol-3-ylmethyl)-11-isobutyl-14-isopropy...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C
Show InChI InChI=1S/C32H44N6O7/c1-17(2)14-23-28(41)35-24(15-19-16-33-21-9-6-5-8-20(19)21)29(42)34-22(11-12-26(39)40)32(45)38-13-7-10-25(38)30(43)37-27(18(3)4)31(44)36-23/h5-6,8-9,16-18,22-25,27,33H,7,10-15H2,1-4H3,(H,34,42)(H,35,41)(H,36,44)(H,37,43)(H,39,40)/t22-,23-,24+,25-,27-/m0/s1
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n/an/a 410n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity against Endothelin A receptor of Porcine aortic smooth muscle membranes


Citation and Details
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50368323
PNG
(CHEMBL1790499)
Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC1=O
Show InChI InChI=1S/C31H44N6O7/c1-6-17(4)26-31(44)36-23(13-16(2)3)29(42)35-24(14-19-15-32-21-10-8-7-9-20(19)21)30(43)34-22(11-12-25(38)39)28(41)33-18(5)27(40)37-26/h7-10,15-18,22-24,26,32H,6,11-14H2,1-5H3,(H,33,41)(H,34,43)(H,35,42)(H,36,44)(H,37,40)(H,38,39)/t17-,18+,22+,23+,24-,26+/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity against Endothelin A receptor of Porcine aortic smooth muscle membranes


Citation and Details
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50000740
PNG
(3-[14-(1H-Indol-3-ylmethyl)-11-isobutyl-8-isopropy...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C
Show InChI InChI=1S/C30H42N6O7/c1-15(2)12-22-28(41)34-23(13-18-14-31-20-9-7-6-8-19(18)20)29(42)33-21(10-11-24(37)38)27(40)32-17(5)26(39)36-25(16(3)4)30(43)35-22/h6-9,14-17,21-23,25,31H,10-13H2,1-5H3,(H,32,40)(H,33,42)(H,34,41)(H,35,43)(H,36,39)(H,37,38)/t17-,21-,22-,23+,25-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity against Endothelin A receptor of Porcine aortic smooth muscle membranes


Citation and Details
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50000734
PNG
(CHEMBL308208 | [14-(1H-Indol-3-ylmethyl)-5-isoprop...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C1=O
Show InChI InChI=1S/C28H36N6O7/c1-14(2)23-28(41)34-10-6-9-21(34)27(40)32-19(11-16-13-29-18-8-5-4-7-17(16)18)26(39)31-20(12-22(35)36)25(38)30-15(3)24(37)33-23/h4-5,7-8,13-15,19-21,23,29H,6,9-12H2,1-3H3,(H,30,38)(H,31,39)(H,32,40)(H,33,37)(H,35,36)/t15-,19+,20-,21-,23-/m0/s1
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n/an/a 8.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity against Endothelin A receptor of Porcine aortic smooth muscle membranes


Citation and Details
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50000737
PNG
(CHEMBL303185 | [8-(1H-Indol-3-ylmethyl)-11-isobuty...)
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
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
Binding activity against Endothelin B receptor 0f Porcine cerebellum membranes


Citation and Details
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50000741
PNG
(CHEMBL293874 | [14-(1H-Indol-3-ylmethyl)-11-isobut...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)CN(C)C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C
Show InChI InChI=1S/C29H40N6O7/c1-15(2)10-20-26(39)31-21(11-17-13-30-19-9-7-6-8-18(17)19)27(40)33-22(12-24(37)38)29(42)35(5)14-23(36)34-25(16(3)4)28(41)32-20/h6-9,13,15-16,20-22,25,30H,10-12,14H2,1-5H3,(H,31,39)(H,32,41)(H,33,40)(H,34,36)(H,37,38)/t20-,21+,22-,25-/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity against Endothelin B receptor 0f Porcine cerebellum membranes


Citation and Details
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50000735
PNG
(CHEMBL303204 | [14-(1H-Indol-3-ylmethyl)-11-isobut...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C
Show InChI InChI=1S/C30H42N6O7/c1-15(2)11-21-27(40)32-22(12-18-14-31-20-10-8-7-9-19(18)20)28(41)34-23(13-24(37)38)30(43)36(6)17(5)26(39)35-25(16(3)4)29(42)33-21/h7-10,14-17,21-23,25,31H,11-13H2,1-6H3,(H,32,40)(H,33,42)(H,34,41)(H,35,39)(H,37,38)/t17-,21-,22+,23-,25-/m0/s1
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n/an/a 4.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity against Endothelin B receptor 0f Porcine cerebellum membranes


Citation and Details
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50000736
PNG
(3-[8-(1H-Indol-3-ylmethyl)-11-isobutyl-14-isopropy...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C
Show InChI InChI=1S/C32H44N6O7/c1-17(2)14-23-28(41)35-24(15-19-16-33-21-9-6-5-8-20(19)21)29(42)34-22(11-12-26(39)40)32(45)38-13-7-10-25(38)30(43)37-27(18(3)4)31(44)36-23/h5-6,8-9,16-18,22-25,27,33H,7,10-15H2,1-4H3,(H,34,42)(H,35,41)(H,36,44)(H,37,43)(H,39,40)/t22-,23-,24+,25-,27-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity against Endothelin B receptor 0f Porcine cerebellum membranes


Citation and Details
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50000734
PNG
(CHEMBL308208 | [14-(1H-Indol-3-ylmethyl)-5-isoprop...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C1=O
Show InChI InChI=1S/C28H36N6O7/c1-14(2)23-28(41)34-10-6-9-21(34)27(40)32-19(11-16-13-29-18-8-5-4-7-17(16)18)26(39)31-20(12-22(35)36)25(38)30-15(3)24(37)33-23/h4-5,7-8,13-15,19-21,23,29H,6,9-12H2,1-3H3,(H,30,38)(H,31,39)(H,32,40)(H,33,37)(H,35,36)/t15-,19+,20-,21-,23-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity against Endothelin B receptor 0f Porcine cerebellum membranes


Citation and Details
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50000739
PNG
(CHEMBL307324 | [8-(1H-Indol-3-ylmethyl)-11-isobuty...)
Show SMILES CC(C)C[C@@H]1N(C)C(=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
Show InChI InChI=1S/C32H44N6O7/c1-17(2)13-25-30(43)34-22(14-19-16-33-21-10-7-6-9-20(19)21)28(41)35-23(15-26(39)40)31(44)38-12-8-11-24(38)29(42)36-27(18(3)4)32(45)37(25)5/h6-7,9-10,16-18,22-25,27,33H,8,11-15H2,1-5H3,(H,34,43)(H,35,41)(H,36,42)(H,39,40)/t22-,23+,24+,25+,27+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity against Endothelin B receptor 0f Porcine cerebellum membranes


Citation and Details
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50000740
PNG
(3-[14-(1H-Indol-3-ylmethyl)-11-isobutyl-8-isopropy...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C
Show InChI InChI=1S/C30H42N6O7/c1-15(2)12-22-28(41)34-23(13-18-14-31-20-9-7-6-8-19(18)20)29(42)33-21(10-11-24(37)38)27(40)32-17(5)26(39)36-25(16(3)4)30(43)35-22/h6-9,14-17,21-23,25,31H,10-13H2,1-5H3,(H,32,40)(H,33,42)(H,34,41)(H,35,43)(H,36,39)(H,37,38)/t17-,21-,22-,23+,25-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity against Endothelin B receptor 0f Porcine cerebellum membranes


Citation and Details
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50000733
PNG
(CHEMBL302776 | [14-(1H-Indol-3-ylmethyl)-11-isobut...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C
Show InChI InChI=1S/C29H40N6O7/c1-14(2)10-20-27(40)32-21(11-17-13-30-19-9-7-6-8-18(17)19)28(41)33-22(12-23(36)37)26(39)31-16(5)25(38)35-24(15(3)4)29(42)34-20/h6-9,13-16,20-22,24,30H,10-12H2,1-5H3,(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,38)(H,36,37)/t16-,20-,21+,22-,24-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity against Endothelin B receptor 0f Porcine cerebellum membranes


Citation and Details
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50368323
PNG
(CHEMBL1790499)
Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC1=O
Show InChI InChI=1S/C31H44N6O7/c1-6-17(4)26-31(44)36-23(13-16(2)3)29(42)35-24(14-19-15-32-21-10-8-7-9-20(19)21)30(43)34-22(11-12-25(38)39)28(41)33-18(5)27(40)37-26/h7-10,15-18,22-24,26,32H,6,11-14H2,1-5H3,(H,33,41)(H,34,43)(H,35,42)(H,36,44)(H,37,40)(H,38,39)/t17-,18+,22+,23+,24-,26+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity against Endothelin B receptor 0f Porcine cerebellum membranes


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%