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Articleid 50034804

Compile data set for download or QSAR
Found 36 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


(Sus scrofa)
BDBM50285138
PNG
(2-{1-[1-(1-{3-carbamoyl-1-[10,11-dihydro-5H-dibenz...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C50H62N8O11/c1-6-27(4)43(48(66)56-38(50(68)69)23-31-25-52-35-18-12-11-15-32(31)35)58-47(65)42(26(2)3)57-46(64)37(24-40(61)62)55-45(63)36(21-22-39(51)60)54-49(67)44(53-28(5)59)41-33-16-9-7-13-29(33)19-20-30-14-8-10-17-34(30)41/h7-18,25-27,36-38,41-44,52H,6,19-24H2,1-5H3,(H2,51,60)(H,53,59)(H,54,67)(H,55,63)(H,56,66)(H,57,64)(H,58,65)(H,61,62)(H,68,69)/t27-,36-,37-,38-,42-,43-,44+/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity against ET-A from porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50285150
PNG
(2-{1-[1-(1-{3-carbamoyl-1-[10,11-dihydro-5H-dibenz...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C51H64N8O11/c1-6-27(3)43(48(66)57-39(51(69)70)24-32-26-53-36-19-13-12-16-33(32)36)59-49(67)44(28(4)7-2)58-47(65)38(25-41(62)63)56-46(64)37(22-23-40(52)61)55-50(68)45(54-29(5)60)42-34-17-10-8-14-30(34)20-21-31-15-9-11-18-35(31)42/h8-19,26-28,37-39,42-45,53H,6-7,20-25H2,1-5H3,(H2,52,61)(H,54,60)(H,55,68)(H,56,64)(H,57,66)(H,58,65)(H,59,67)(H,62,63)(H,69,70)/t27-,28-,37-,38-,39-,43-,44-,45+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity against ET-A from porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50285133
PNG
(Ac-dBHG-Arg-Asp-Ile-Ile-Trp-OH | CHEMBL411965)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C52H68N10O10/c1-6-28(3)43(48(68)60-40(51(71)72)25-33-27-56-37-20-13-12-17-34(33)37)62-49(69)44(29(4)7-2)61-47(67)39(26-41(64)65)59-46(66)38(21-14-24-55-52(53)54)58-50(70)45(57-30(5)63)42-35-18-10-8-15-31(35)22-23-32-16-9-11-19-36(32)42/h8-13,15-20,27-29,38-40,42-45,56H,6-7,14,21-26H2,1-5H3,(H,57,63)(H,58,70)(H,59,66)(H,60,68)(H,61,67)(H,62,69)(H,64,65)(H,71,72)(H4,53,54,55)/t28-,29-,38-,39-,40-,43-,44-,45+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity against ET-A from porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50285149
PNG
(2-{1-[1-(1-{2-carbamoyl-1-[10,11-dihydro-5H-dibenz...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C50H62N8O11/c1-6-26(3)42(47(65)56-38(50(68)69)22-31-25-52-35-19-13-12-16-32(31)35)58-48(66)43(27(4)7-2)57-46(64)37(24-40(61)62)54-45(63)36(23-39(51)60)55-49(67)44(53-28(5)59)41-33-17-10-8-14-29(33)20-21-30-15-9-11-18-34(30)41/h8-19,25-27,36-38,41-44,52H,6-7,20-24H2,1-5H3,(H2,51,60)(H,53,59)(H,54,63)(H,55,67)(H,56,65)(H,57,64)(H,58,66)(H,61,62)(H,68,69)/t26-,27-,36-,37-,38-,42-,43-,44+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity against ET-A from porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50285140
PNG
(2-{1-[1-(1-{2-carbamoyl-1-[10,11-dihydro-5H-dibenz...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C49H60N8O11/c1-6-26(4)42(47(65)55-37(49(67)68)21-30-24-51-34-18-12-11-15-31(30)34)57-46(64)41(25(2)3)56-45(63)36(23-39(60)61)53-44(62)35(22-38(50)59)54-48(66)43(52-27(5)58)40-32-16-9-7-13-28(32)19-20-29-14-8-10-17-33(29)40/h7-18,24-26,35-37,40-43,51H,6,19-23H2,1-5H3,(H2,50,59)(H,52,58)(H,53,62)(H,54,66)(H,55,65)(H,56,63)(H,57,64)(H,60,61)(H,67,68)/t26-,35-,36-,37-,41-,42-,43+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity against ET-A from porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50366384
PNG
(CHEMBL1790448)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)[C@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C50H63N7O11/c1-7-26(3)41(46(63)54-38(50(67)68)23-32-25-51-36-20-14-13-17-33(32)36)56-47(64)42(27(4)8-2)55-45(62)37(24-39(60)61)53-48(65)43(28(5)58)57-49(66)44(52-29(6)59)40-34-18-11-9-15-30(34)21-22-31-16-10-12-19-35(31)40/h9-20,25-28,37-38,40-44,51,58H,7-8,21-24H2,1-6H3,(H,52,59)(H,53,65)(H,54,63)(H,55,62)(H,56,64)(H,57,66)(H,60,61)(H,67,68)/t26-,27-,28-,37-,38-,41-,42-,43-,44+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity against ET-A from porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50285137
PNG
(2-{1-[1-(1-{5-amino-1-[10,11-dihydro-5H-dibenzo[a,...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C52H68N8O10/c1-6-29(3)44(49(66)58-41(52(69)70)26-34-28-54-38-21-13-12-18-35(34)38)60-50(67)45(30(4)7-2)59-48(65)40(27-42(62)63)57-47(64)39(22-14-15-25-53)56-51(68)46(55-31(5)61)43-36-19-10-8-16-32(36)23-24-33-17-9-11-20-37(33)43/h8-13,16-21,28-30,39-41,43-46,54H,6-7,14-15,22-27,53H2,1-5H3,(H,55,61)(H,56,68)(H,57,64)(H,58,66)(H,59,65)(H,60,67)(H,62,63)(H,69,70)/t29-,30-,39-,40-,41-,44-,45-,46+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity against ET-A from porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50285125
PNG
(2-{1-[1-(2-carboxy-1-{1-[10,11-dihydro-5H-dibenzo[...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C52H67N7O10/c1-9-29(4)43(48(65)57-40(51(68)69)25-33-27-53-37-21-15-14-18-34(33)37)58-50(67)45(52(6,7)8)59-47(64)39(26-41(61)62)55-46(63)38(24-28(2)3)56-49(66)44(54-30(5)60)42-35-19-12-10-16-31(35)22-23-32-17-11-13-20-36(32)42/h10-21,27-29,38-40,42-45,53H,9,22-26H2,1-8H3,(H,54,60)(H,55,63)(H,56,66)(H,57,65)(H,58,67)(H,59,64)(H,61,62)(H,68,69)/t29-,38-,39-,40-,43-,44+,45+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity against ET-A from porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50285157
PNG
(2-{1-[1-(1-{3-carbamoyl-1-[10,11-dihydro-5H-dibenz...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C51H64N8O11/c1-7-27(2)42(47(66)57-38(50(69)70)24-31-26-53-35-19-13-12-16-32(31)35)58-49(68)44(51(4,5)6)59-46(65)37(25-40(62)63)56-45(64)36(22-23-39(52)61)55-48(67)43(54-28(3)60)41-33-17-10-8-14-29(33)20-21-30-15-9-11-18-34(30)41/h8-19,26-27,36-38,41-44,53H,7,20-25H2,1-6H3,(H2,52,61)(H,54,60)(H,55,67)(H,56,64)(H,57,66)(H,58,68)(H,59,65)(H,62,63)(H,69,70)/t27-,36-,37-,38-,42-,43+,44+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity against ET-A from porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50285148
PNG
(2-{1-[1-(2-carboxy-1-{1-[10,11-dihydro-5H-dibenzo[...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C51H65N7O10/c1-8-29(6)44(49(65)56-40(51(67)68)24-33-26-52-37-20-14-13-17-34(33)37)58-48(64)43(28(4)5)57-47(63)39(25-41(60)61)54-46(62)38(23-27(2)3)55-50(66)45(53-30(7)59)42-35-18-11-9-15-31(35)21-22-32-16-10-12-19-36(32)42/h9-20,26-29,38-40,42-45,52H,8,21-25H2,1-7H3,(H,53,59)(H,54,62)(H,55,66)(H,56,65)(H,57,63)(H,58,64)(H,60,61)(H,67,68)/t29-,38-,39-,40-,43-,44-,45+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of endothelin (ET-A) binding to porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50285135
PNG
((S)-3-{(S)-2-[(R)-2-Acetylamino-2-(10,11-dihydro-5...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C49H61N7O10/c1-7-26(3)41(46(62)54-38(49(65)66)23-32-25-50-36-20-14-13-17-33(32)36)56-47(63)42(27(4)8-2)55-45(61)37(24-39(58)59)53-44(60)28(5)51-48(64)43(52-29(6)57)40-34-18-11-9-15-30(34)21-22-31-16-10-12-19-35(31)40/h9-20,25-28,37-38,40-43,50H,7-8,21-24H2,1-6H3,(H,51,64)(H,52,57)(H,53,60)(H,54,62)(H,55,61)(H,56,63)(H,58,59)(H,65,66)/t26-,27-,28-,37-,38-,41-,42-,43+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity against ET-A from porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50285153
PNG
(2-{1-[1-(2-carboxy-1-{1-[2-(10,11-dihydro-5H-diben...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C51H63N7O10/c1-6-28(3)43(48(64)55-39(51(67)68)25-33-27-52-37-20-13-12-17-34(33)37)57-49(65)44(29(4)7-2)56-46(62)38(26-41(60)61)54-47(63)40-21-14-24-58(40)50(66)45(53-30(5)59)42-35-18-10-8-15-31(35)22-23-32-16-9-11-19-36(32)42/h8-13,15-20,27-29,38-40,42-45,52H,6-7,14,21-26H2,1-5H3,(H,53,59)(H,54,63)(H,55,64)(H,56,62)(H,57,65)(H,60,61)(H,67,68)/t28-,29-,38-,39-,40-,43-,44-,45+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity against ET-A from porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50285156
PNG
(2-{1-[1-(2-carboxy-1-{1-[10,11-dihydro-5H-dibenzo[...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C49H61N7O11/c1-6-26(3)41(46(63)53-37(49(66)67)22-31-24-50-35-19-13-12-16-32(31)35)56-47(64)42(27(4)7-2)55-44(61)36(23-39(59)60)52-45(62)38(25-57)54-48(65)43(51-28(5)58)40-33-17-10-8-14-29(33)20-21-30-15-9-11-18-34(30)40/h8-19,24,26-27,36-38,40-43,50,57H,6-7,20-23,25H2,1-5H3,(H,51,58)(H,52,62)(H,53,63)(H,54,65)(H,55,61)(H,56,64)(H,59,60)(H,66,67)/t26-,27-,36-,37-,38-,41-,42-,43+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity against ET-A from porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50285146
PNG
(2-{1-[1-(2-carboxy-1-{1-[10,11-dihydro-5H-dibenzo[...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C52H67N7O10/c1-8-29(5)44(49(65)57-41(52(68)69)25-34-27-53-38-21-15-14-18-35(34)38)59-50(66)45(30(6)9-2)58-48(64)40(26-42(61)62)55-47(63)39(24-28(3)4)56-51(67)46(54-31(7)60)43-36-19-12-10-16-32(36)22-23-33-17-11-13-20-37(33)43/h10-21,27-30,39-41,43-46,53H,8-9,22-26H2,1-7H3,(H,54,60)(H,55,63)(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,61,62)(H,68,69)/t29-,30-,39-,40-,41-,44-,45-,46+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of endothelin (ET-A) binding to porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50032181
PNG
(2-{1-[1-(2-carboxy-1-{1-[10,11-dihydro-5H-dibenzo[...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C52H67N7O10/c1-8-29(5)44(49(65)57-41(52(68)69)25-34-27-53-38-21-15-14-18-35(34)38)59-50(66)45(30(6)9-2)58-48(64)40(26-42(61)62)55-47(63)39(24-28(3)4)56-51(67)46(54-31(7)60)43-36-19-12-10-16-32(36)22-23-33-17-11-13-20-37(33)43/h10-21,27-30,39-41,43-46,53H,8-9,22-26H2,1-7H3,(H,54,60)(H,55,63)(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,61,62)(H,68,69)/t29-,30-,39-,40-,41-,44-,45-,46-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of endothelin (ET-A) binding to porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50285134
PNG
(2-{1-[1-(2-carboxy-1-{1-[10,11-dihydro-5H-dibenzo[...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C51H65N7O10S/c1-7-28(3)43(48(64)56-40(51(67)68)25-33-27-52-37-20-14-13-17-34(33)37)58-49(65)44(29(4)8-2)57-47(63)39(26-41(60)61)55-46(62)38(23-24-69-6)54-50(66)45(53-30(5)59)42-35-18-11-9-15-31(35)21-22-32-16-10-12-19-36(32)42/h9-20,27-29,38-40,42-45,52H,7-8,21-26H2,1-6H3,(H,53,59)(H,54,66)(H,55,62)(H,56,64)(H,57,63)(H,58,65)(H,60,61)(H,67,68)/t28-,29-,38-,39-,40-,43-,44-,45+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity against ET-A from porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50285146
PNG
(2-{1-[1-(2-carboxy-1-{1-[10,11-dihydro-5H-dibenzo[...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C52H67N7O10/c1-8-29(5)44(49(65)57-41(52(68)69)25-34-27-53-38-21-15-14-18-35(34)38)59-50(66)45(30(6)9-2)58-48(64)40(26-42(61)62)55-47(63)39(24-28(3)4)56-51(67)46(54-31(7)60)43-36-19-12-10-16-32(36)22-23-33-17-11-13-20-37(33)43/h10-21,27-30,39-41,43-46,53H,8-9,22-26H2,1-7H3,(H,54,60)(H,55,63)(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,61,62)(H,68,69)/t29-,30-,39-,40-,41-,44-,45-,46+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity against ET-A from porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50285124
PNG
(Ac-dBHG-Trp-Asp-Ile-Ile-Trp-OH | CHEMBL409180)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C57H66N8O10/c1-6-31(3)49(54(71)63-46(57(74)75)27-37-30-59-43-23-15-13-19-39(37)43)65-55(72)50(32(4)7-2)64-53(70)45(28-47(67)68)61-52(69)44(26-36-29-58-42-22-14-12-18-38(36)42)62-56(73)51(60-33(5)66)48-40-20-10-8-16-34(40)24-25-35-17-9-11-21-41(35)48/h8-23,29-32,44-46,48-51,58-59H,6-7,24-28H2,1-5H3,(H,60,66)(H,61,69)(H,62,73)(H,63,71)(H,64,70)(H,65,72)(H,67,68)(H,74,75)/t31-,32-,44-,45-,46-,49-,50-,51+/m0/s1
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity against ET-A from porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50285141
PNG
(Ac-dBHG-Tyr-Asp-Ile-Ile-Trp-OH | CHEMBL405916)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C55H65N7O11/c1-6-30(3)47(52(69)60-44(55(72)73)27-36-29-56-41-19-13-12-16-38(36)41)62-53(70)48(31(4)7-2)61-51(68)43(28-45(65)66)58-50(67)42(26-33-20-24-37(64)25-21-33)59-54(71)49(57-32(5)63)46-39-17-10-8-14-34(39)22-23-35-15-9-11-18-40(35)46/h8-21,24-25,29-31,42-44,46-49,56,64H,6-7,22-23,26-28H2,1-5H3,(H,57,63)(H,58,67)(H,59,71)(H,60,69)(H,61,68)(H,62,70)(H,65,66)(H,72,73)/t30-,31-,42-,43-,44-,47-,48-,49+/m0/s1
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity against ET-A from porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50285152
PNG
(2-{1-[1-(2-carboxy-1-{2-carboxy-1-[10,11-dihydro-5...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C50H61N7O12/c1-6-26(3)42(47(65)55-38(50(68)69)22-31-25-51-35-19-13-12-16-32(31)35)57-48(66)43(27(4)7-2)56-46(64)37(24-40(61)62)53-45(63)36(23-39(59)60)54-49(67)44(52-28(5)58)41-33-17-10-8-14-29(33)20-21-30-15-9-11-18-34(30)41/h8-19,25-27,36-38,41-44,51H,6-7,20-24H2,1-5H3,(H,52,58)(H,53,63)(H,54,67)(H,55,65)(H,56,64)(H,57,66)(H,59,60)(H,61,62)(H,68,69)/t26-,27-,36-,37-,38-,42-,43-,44+/m0/s1
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity against ET-A from porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50285132
PNG
(4-[2-carboxy-1-(1-{1-[1-carboxy-2-(1H-3-indolyl)et...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C51H63N7O12/c1-6-27(3)43(48(66)56-39(51(69)70)24-32-26-52-36-19-13-12-16-33(32)36)58-49(67)44(28(4)7-2)57-47(65)38(25-41(62)63)55-46(64)37(22-23-40(60)61)54-50(68)45(53-29(5)59)42-34-17-10-8-14-30(34)20-21-31-15-9-11-18-35(31)42/h8-19,26-28,37-39,42-45,52H,6-7,20-25H2,1-5H3,(H,53,59)(H,54,68)(H,55,64)(H,56,66)(H,57,65)(H,58,67)(H,60,61)(H,62,63)(H,69,70)/t27-,28-,37-,38-,39-,43-,44-,45+/m0/s1
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity against ET-A from porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50285131
PNG
(2-{1-[1-(2-carboxy-1-{1-[10,11-dihydro-5H-dibenzo[...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C51H65N7O10/c1-8-28(5)43(48(64)55-39(51(67)68)24-33-26-52-37-21-15-14-18-34(33)37)58-49(65)44(29(6)9-2)57-46(62)38(25-40(60)61)54-47(63)42(27(3)4)56-50(66)45(53-30(7)59)41-35-19-12-10-16-31(35)22-23-32-17-11-13-20-36(32)41/h10-21,26-29,38-39,41-45,52H,8-9,22-25H2,1-7H3,(H,53,59)(H,54,63)(H,55,64)(H,56,66)(H,57,62)(H,58,65)(H,60,61)(H,67,68)/t28-,29-,38-,39-,42-,43-,44-,45+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity against ET-A from porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50285130
PNG
((S)-3-{(S)-2-[(R)-2-Acetylamino-2-(10,11-dihydro-5...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C48H59N7O10/c1-6-27(4)42(46(62)54-38(48(64)65)22-31-24-49-35-18-12-11-15-32(31)35)55-39(57)25-50-44(60)37(23-40(58)59)52-45(61)36(21-26(2)3)53-47(63)43(51-28(5)56)41-33-16-9-7-13-29(33)19-20-30-14-8-10-17-34(30)41/h7-18,24,26-27,36-38,41-43,49H,6,19-23,25H2,1-5H3,(H,50,60)(H,51,56)(H,52,61)(H,53,63)(H,54,62)(H,55,57)(H,58,59)(H,64,65)/t27-,36-,37-,38-,42-,43+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of endothelin (ET-A) binding to porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50285136
PNG
((S)-3-{2-[(R)-2-Acetylamino-2-(10,11-dihydro-5H-di...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C48H59N7O10/c1-6-26(3)41(46(62)53-37(48(64)65)22-31-24-49-35-19-13-12-16-32(31)35)55-47(63)42(27(4)7-2)54-44(60)36(23-39(58)59)52-38(57)25-50-45(61)43(51-28(5)56)40-33-17-10-8-14-29(33)20-21-30-15-9-11-18-34(30)40/h8-19,24,26-27,36-37,40-43,49H,6-7,20-23,25H2,1-5H3,(H,50,61)(H,51,56)(H,52,57)(H,53,62)(H,54,60)(H,55,63)(H,58,59)(H,64,65)/t26-,27-,36-,37-,41-,42-,43+/m0/s1
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n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity against ET-A from porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50285128
PNG
(2-{1-[1-(2-carboxy-1-{1-[10,11-dihydro-5H-dibenzo[...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)[C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C52H67N7O10/c1-8-28(4)43(59-51(67)46(54-31(7)60)42-36-20-13-11-17-32(36)23-24-33-18-12-14-21-37(33)42)48(64)55-39(26-41(61)62)47(63)57-45(30(6)10-3)50(66)58-44(29(5)9-2)49(65)56-40(52(68)69)25-34-27-53-38-22-16-15-19-35(34)38/h11-22,27-30,39-40,42-46,53H,8-10,23-26H2,1-7H3,(H,54,60)(H,55,64)(H,56,65)(H,57,63)(H,58,66)(H,59,67)(H,61,62)(H,68,69)/t28-,29-,30-,39-,40-,43-,44-,45-,46+/m0/s1
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n/an/a 21n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity against ET-A from porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50285147
PNG
(2-{1-[1-(2-carboxy-1-{1-[10,11-dihydro-5H-dibenzo[...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C55H65N7O10/c1-6-31(3)47(52(68)60-44(55(71)72)28-37-30-56-41-24-16-15-21-38(37)41)62-53(69)48(32(4)7-2)61-51(67)43(29-45(64)65)58-50(66)42(27-34-17-9-8-10-18-34)59-54(70)49(57-33(5)63)46-39-22-13-11-19-35(39)25-26-36-20-12-14-23-40(36)46/h8-24,30-32,42-44,46-49,56H,6-7,25-29H2,1-5H3,(H,57,63)(H,58,66)(H,59,70)(H,60,68)(H,61,67)(H,62,69)(H,64,65)(H,71,72)/t31-,32-,42-,43-,44-,47-,48-,49+/m0/s1
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n/an/a 24n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity against ET-A from porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50285151
PNG
((S)-3-{(S)-2-[(R)-2-Acetylamino-2-(10,11-dihydro-5...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C49H61N7O10/c1-7-27(4)42(47(63)55-39(49(65)66)23-32-25-50-36-19-13-12-16-33(32)36)56-44(60)28(5)51-45(61)38(24-40(58)59)53-46(62)37(22-26(2)3)54-48(64)43(52-29(6)57)41-34-17-10-8-14-30(34)20-21-31-15-9-11-18-35(31)41/h8-19,25-28,37-39,41-43,50H,7,20-24H2,1-6H3,(H,51,61)(H,52,57)(H,53,62)(H,54,64)(H,55,63)(H,56,60)(H,58,59)(H,65,66)/t27-,28-,37-,38-,39-,42-,43+/m0/s1
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of endothelin (ET-A) binding to porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50285139
PNG
(2-{1-[1-(2-carboxy-1-{1-[10,11-dihydro-5H-dibenzo[...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C51H65N7O10S/c1-7-29(4)44(49(65)57-41(51(67)68)25-33-27-52-37-19-13-12-16-34(33)37)58-46(62)38(22-23-69-6)54-48(64)40(26-42(60)61)55-47(63)39(24-28(2)3)56-50(66)45(53-30(5)59)43-35-17-10-8-14-31(35)20-21-32-15-9-11-18-36(32)43/h8-19,27-29,38-41,43-45,52H,7,20-26H2,1-6H3,(H,53,59)(H,54,64)(H,55,63)(H,56,66)(H,57,65)(H,58,62)(H,60,61)(H,67,68)/t29-,38-,39-,40-,41-,44-,45+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of endothelin (ET-A) binding to porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50285145
PNG
(2-{1-[2-carbamoyl-1-(2-carboxy-1-{1-[10,11-dihydro...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C50H62N8O11/c1-6-27(4)43(48(66)57-39(50(68)69)22-31-25-52-35-18-12-11-15-32(31)35)58-47(65)37(23-40(51)60)54-46(64)38(24-41(61)62)55-45(63)36(21-26(2)3)56-49(67)44(53-28(5)59)42-33-16-9-7-13-29(33)19-20-30-14-8-10-17-34(30)42/h7-18,25-27,36-39,42-44,52H,6,19-24H2,1-5H3,(H2,51,60)(H,53,59)(H,54,64)(H,55,63)(H,56,67)(H,57,66)(H,58,65)(H,61,62)(H,68,69)/t27-,36-,37-,38-,39-,43-,44+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of endothelin (ET-A) binding to porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50285158
PNG
((S)-4-{(S)-2-[(R)-2-Acetylamino-2-(10,11-dihydro-5...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C49H61N7O10/c1-6-28(4)43(47(63)55-39(49(65)66)24-32-25-50-36-18-12-11-15-33(32)36)56-40(58)26-51-45(61)37(21-22-41(59)60)53-46(62)38(23-27(2)3)54-48(64)44(52-29(5)57)42-34-16-9-7-13-30(34)19-20-31-14-8-10-17-35(31)42/h7-18,25,27-28,37-39,42-44,50H,6,19-24,26H2,1-5H3,(H,51,61)(H,52,57)(H,53,62)(H,54,64)(H,55,63)(H,56,58)(H,59,60)(H,65,66)/t28-,37-,38-,39-,43-,44+/m0/s1
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n/an/a 48n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of endothelin (ET-A) binding to porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50285155
PNG
(Ac-dBHG-His-Asp-Ile-Ile-Trp-OH | CHEMBL408616)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C52H63N9O10/c1-6-28(3)44(49(67)59-41(52(70)71)22-33-25-54-38-19-13-12-16-35(33)38)61-50(68)45(29(4)7-2)60-48(66)40(24-42(63)64)57-47(65)39(23-34-26-53-27-55-34)58-51(69)46(56-30(5)62)43-36-17-10-8-14-31(36)20-21-32-15-9-11-18-37(32)43/h8-19,25-29,39-41,43-46,54H,6-7,20-24H2,1-5H3,(H,53,55)(H,56,62)(H,57,65)(H,58,69)(H,59,67)(H,60,66)(H,61,68)(H,63,64)(H,70,71)/t28-,29-,39-,40-,41-,44-,45-,46+/m0/s1
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity against ET-A from porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50285127
PNG
((S)-2-{(2S,3S)-2-[2-((S)-2-{(S)-2-[(R)-2-Acetylami...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C48H60N8O9/c1-6-27(4)42(46(62)55-38(48(64)65)22-31-24-50-35-18-12-11-15-32(31)35)56-40(59)25-51-44(60)37(23-39(49)58)53-45(61)36(21-26(2)3)54-47(63)43(52-28(5)57)41-33-16-9-7-13-29(33)19-20-30-14-8-10-17-34(30)41/h7-18,24,26-27,36-38,41-43,50H,6,19-23,25H2,1-5H3,(H2,49,58)(H,51,60)(H,52,57)(H,53,61)(H,54,63)(H,55,62)(H,56,59)(H,64,65)/t27-,36-,37-,38-,42-,43+/m0/s1
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n/an/a 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of endothelin (ET-A) binding to porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50285126
PNG
((S)-2-{(2S,3S)-2-[2-(2-{(S)-2-[(R)-2-Acetylamino-2...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C46H57N7O8/c1-6-27(4)41(44(58)52-37(46(60)61)22-31-23-47-35-18-12-11-15-32(31)35)53-39(56)25-48-38(55)24-49-43(57)36(21-26(2)3)51-45(59)42(50-28(5)54)40-33-16-9-7-13-29(33)19-20-30-14-8-10-17-34(30)40/h7-18,23,26-27,36-37,40-42,47H,6,19-22,24-25H2,1-5H3,(H,48,55)(H,49,57)(H,50,54)(H,51,59)(H,52,58)(H,53,56)(H,60,61)/t27-,36-,37-,41-,42+/m0/s1
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n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of endothelin (ET-A) binding to porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50285143
PNG
((S)-2-{(2S,3S)-2-[2-((S)-2-{(S)-2-[(R)-2-Acetylami...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C49H62N8O9/c1-6-28(4)43(47(63)56-39(49(65)66)24-32-25-51-36-18-12-11-15-33(32)36)57-41(60)26-52-45(61)37(21-22-40(50)59)54-46(62)38(23-27(2)3)55-48(64)44(53-29(5)58)42-34-16-9-7-13-30(34)19-20-31-14-8-10-17-35(31)42/h7-18,25,27-28,37-39,42-44,51H,6,19-24,26H2,1-5H3,(H2,50,59)(H,52,61)(H,53,58)(H,54,62)(H,55,64)(H,56,63)(H,57,60)(H,65,66)/t28-,37-,38-,39-,43-,44+/m0/s1
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n/an/a 180n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of endothelin (ET-A) binding to porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50366385
PNG
(CHEMBL1790451)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(=O)N[C@@H]([C@H](C)O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C47H59N7O9/c1-25(2)21-36(51-46(61)42(50-28(6)56)39-33-16-9-7-13-29(33)19-20-30-14-8-10-17-34(30)39)43(58)54-41(27(5)55)44(59)49-24-38(57)53-40(26(3)4)45(60)52-37(47(62)63)22-31-23-48-35-18-12-11-15-32(31)35/h7-18,23,25-27,36-37,39-42,48,55H,19-22,24H2,1-6H3,(H,49,59)(H,50,56)(H,51,61)(H,52,60)(H,53,57)(H,54,58)(H,62,63)/t27-,36-,37-,40-,41-,42+/m0/s1
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n/an/a 350n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of endothelin (ET-A) binding to porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50285142
PNG
((S)-2-{(S)-2-[2-((S)-2-{(S)-2-[(R)-2-Acetylamino-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C46H57N7O9/c1-25(2)20-35(50-45(60)41(49-27(5)55)39-32-15-8-6-12-28(32)18-19-29-13-7-9-16-33(29)39)43(58)52-37(24-54)42(57)48-23-38(56)53-40(26(3)4)44(59)51-36(46(61)62)21-30-22-47-34-17-11-10-14-31(30)34/h6-17,22,25-26,35-37,39-41,47,54H,18-21,23-24H2,1-5H3,(H,48,57)(H,49,55)(H,50,60)(H,51,59)(H,52,58)(H,53,56)(H,61,62)/t35-,36-,37-,40-,41+/m0/s1
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n/an/a 380n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of endothelin (ET-A) binding to porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%