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Compile Data Set for Download or QSAR

Found 81 hits with Last Name = 'hill' and Initial = 'ke'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50366421
PNG
(CHEMBL1791271)
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)C(c1ccccc1)c1ccccc1)[C@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C50H65N7O10/c1-8-29(5)42(47(63)55-39(50(66)67)25-34-27-51-36-23-17-16-22-35(34)36)57-48(64)43(30(6)9-2)56-46(62)38(26-40(59)60)53-45(61)37(24-28(3)4)54-49(65)44(52-31(7)58)41(32-18-12-10-13-19-32)33-20-14-11-15-21-33/h10-23,27-30,37-39,41-44,51H,8-9,24-26H2,1-7H3,(H,52,58)(H,53,61)(H,54,65)(H,55,63)(H,56,62)(H,57,64)(H,59,60)(H,66,67)/t29-,30+,37-,38-,39-,42-,43-,44-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]endothelin-1 [ET-1] binding to endothelin A receptor (ETA) of rabbit renal artery vascular smooth muscle cells


Bioorg Med Chem Lett 5: 967-972 (1995)


Article DOI: 10.1016/0960-894X(95)00152-J
BindingDB Entry DOI: 10.7270/Q2MG7PZH
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50281565
PNG
((S)-3-[(R)-2-((R)-2-Acetylamino-3-phenyl-propionyl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(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/C47H59N7O10/c1-6-27(3)40(45(61)52-38(47(63)64)24-32-26-48-34-21-15-14-20-33(32)34)54-46(62)41(28(4)7-2)53-44(60)37(25-39(56)57)51-43(59)36(23-31-18-12-9-13-19-31)50-42(58)35(49-29(5)55)22-30-16-10-8-11-17-30/h8-21,26-28,35-38,40-41,48H,6-7,22-25H2,1-5H3,(H,49,55)(H,50,58)(H,51,59)(H,52,61)(H,53,60)(H,54,62)(H,56,57)(H,63,64)/t27-,28-,35+,36+,37-,38-,40-,41-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-ET-1 from Endothelin B receptor of rat cerebellum


Bioorg Med Chem Lett 3: 497-502 (1993)


Article DOI: 10.1016/S0960-894X(01)81215-4
BindingDB Entry DOI: 10.7270/Q2M908MP
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50045240
PNG
((S)-2-[(S)-2-((2S,5S)-2-{(S)-2-[(S)-2-((R)-2-Acety...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C49H65N7O8/c1-8-30(5)42(47(61)54-41(49(63)64)27-35-28-50-37-23-17-16-22-36(35)37)56-48(62)43(31(6)9-2)55-46(60)40(26-34-20-14-11-15-21-34)53-44(58)38(24-29(3)4)52-45(59)39(51-32(7)57)25-33-18-12-10-13-19-33/h10-23,28-31,38-43,50H,8-9,24-27H2,1-7H3,(H,51,57)(H,52,59)(H,53,58)(H,54,61)(H,55,60)(H,56,62)(H,63,64)/t30-,31-,38-,39+,40-,41-,42-,43-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-ET-1 from Endothelin B receptor of rat cerebellum


Bioorg Med Chem Lett 3: 497-502 (1993)


Article DOI: 10.1016/S0960-894X(01)81215-4
BindingDB Entry DOI: 10.7270/Q2M908MP
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50366424
PNG
(CHEMBL2369709)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C43H58N8O9/c1-6-25(4)37(41(57)49-34(43(59)60)21-28-23-45-30-16-11-10-15-29(28)30)50-40(56)35-17-12-18-51(35)42(58)33(22-36(44)53)48-38(54)31(19-24(2)3)47-39(55)32(46-26(5)52)20-27-13-8-7-9-14-27/h7-11,13-16,23-25,31-35,37,45H,6,12,17-22H2,1-5H3,(H2,44,53)(H,46,52)(H,47,55)(H,48,54)(H,49,57)(H,50,56)(H,59,60)/t25-,31-,32+,33-,34-,35-,37-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]endothelin-1 [ET-1] binding to endothelin A receptor (ETA) of rabbit renal artery vascular smooth muscle cells


Bioorg Med Chem Lett 5: 967-972 (1995)


Article DOI: 10.1016/0960-894X(95)00152-J
BindingDB Entry DOI: 10.7270/Q2MG7PZH
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50045244
PNG
((S)-3-[(S)-2-((R)-2-Acetylamino-3-phenyl-propionyl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(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/C47H59N7O10/c1-6-27(3)40(45(61)52-38(47(63)64)24-32-26-48-34-21-15-14-20-33(32)34)54-46(62)41(28(4)7-2)53-44(60)37(25-39(56)57)51-43(59)36(23-31-18-12-9-13-19-31)50-42(58)35(49-29(5)55)22-30-16-10-8-11-17-30/h8-21,26-28,35-38,40-41,48H,6-7,22-25H2,1-5H3,(H,49,55)(H,50,58)(H,51,59)(H,52,61)(H,53,60)(H,54,62)(H,56,57)(H,63,64)/t27-,28-,35+,36-,37-,38-,40-,41-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-ET-1 from Endothelin B receptor of rat cerebellum


Bioorg Med Chem Lett 3: 497-502 (1993)


Article DOI: 10.1016/S0960-894X(01)81215-4
BindingDB Entry DOI: 10.7270/Q2M908MP
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50284007
PNG
(CHEMBL412460 | Trp-Ile-Ile-Asp-Leu-Hisc(Cys-Ser-Se...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C77H107N17O21S2/c1-9-40(7)62(75(112)87-55(77(114)115)27-44-30-80-49-19-15-14-18-47(44)49)94-76(113)63(41(8)10-2)93-69(106)54(29-60(99)100)85-65(102)50(24-38(3)4)82-68(105)53(28-45-31-79-37-81-45)84-73(110)59-36-117-116-35-48(78)64(101)88-56(32-95)70(107)89-57(33-96)71(108)90-58(34-97)72(109)92-61(39(5)6)74(111)86-52(26-43-20-22-46(98)23-21-43)66(103)83-51(67(104)91-59)25-42-16-12-11-13-17-42/h11-23,30-31,37-41,48,50-59,61-63,80,95-98H,9-10,24-29,32-36,78H2,1-8H3,(H,79,81)(H,82,105)(H,83,103)(H,84,110)(H,85,102)(H,86,111)(H,87,112)(H,88,101)(H,89,107)(H,90,108)(H,91,104)(H,92,109)(H,93,106)(H,94,113)(H,99,100)(H,114,115)/t40-,41-,48-,50-,51-,52+,53-,54-,55-,56-,57-,58-,59+,61-,62-,63-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against Endothelin B receptor in rat cerebellar membrane (ET-B) from adult blue laurie rat


Bioorg Med Chem Lett 4: 567-572 (1994)


Article DOI: 10.1016/S0960-894X(01)80156-6
BindingDB Entry DOI: 10.7270/Q2TT4QW6
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50366421
PNG
(CHEMBL1791271)
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)C(c1ccccc1)c1ccccc1)[C@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C50H65N7O10/c1-8-29(5)42(47(63)55-39(50(66)67)25-34-27-51-36-23-17-16-22-35(34)36)57-48(64)43(30(6)9-2)56-46(62)38(26-40(59)60)53-45(61)37(24-28(3)4)54-49(65)44(52-31(7)58)41(32-18-12-10-13-19-32)33-20-14-11-15-21-33/h10-23,27-30,37-39,41-44,51H,8-9,24-26H2,1-7H3,(H,52,58)(H,53,61)(H,54,65)(H,55,63)(H,56,62)(H,57,64)(H,59,60)(H,66,67)/t29-,30+,37-,38-,39-,42-,43-,44-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-endothelin-3 [ET-3] binding to endothelin B receptor (ETB) of rat cerebellum


Bioorg Med Chem Lett 5: 967-972 (1995)


Article DOI: 10.1016/0960-894X(95)00152-J
BindingDB Entry DOI: 10.7270/Q2MG7PZH
More data for this
Ligand-Target Pair
Endothelin receptor


(RAT)
BDBM50001217
PNG
(3-[2-(2-Acetylamino-3-phenyl-propionylamino)-4-met...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(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/C44H61N7O10/c1-8-25(5)37(42(58)49-35(44(60)61)21-29-23-45-31-18-14-13-17-30(29)31)51-43(59)38(26(6)9-2)50-41(57)34(22-36(53)54)48-39(55)32(19-24(3)4)47-40(56)33(46-27(7)52)20-28-15-11-10-12-16-28/h10-18,23-26,32-35,37-38,45H,8-9,19-22H2,1-7H3,(H,46,52)(H,47,56)(H,48,55)(H,49,58)(H,50,57)(H,51,59)(H,53,54)(H,60,61)/t25-,26-,32-,33+,34-,35-,37-,38-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-ET-1 from Endothelin A receptor of rabbit renal artery vascular smooth muscle cells


Bioorg Med Chem Lett 3: 497-502 (1993)


Article DOI: 10.1016/S0960-894X(01)81215-4
BindingDB Entry DOI: 10.7270/Q2M908MP
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50045244
PNG
((S)-3-[(S)-2-((R)-2-Acetylamino-3-phenyl-propionyl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(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/C47H59N7O10/c1-6-27(3)40(45(61)52-38(47(63)64)24-32-26-48-34-21-15-14-20-33(32)34)54-46(62)41(28(4)7-2)53-44(60)37(25-39(56)57)51-43(59)36(23-31-18-12-9-13-19-31)50-42(58)35(49-29(5)55)22-30-16-10-8-11-17-30/h8-21,26-28,35-38,40-41,48H,6-7,22-25H2,1-5H3,(H,49,55)(H,50,58)(H,51,59)(H,52,61)(H,53,60)(H,54,62)(H,56,57)(H,63,64)/t27-,28-,35+,36-,37-,38-,40-,41-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-ET-1 from Endothelin A receptor of rabbit renal artery vascular smooth muscle cells


Bioorg Med Chem Lett 3: 497-502 (1993)


Article DOI: 10.1016/S0960-894X(01)81215-4
BindingDB Entry DOI: 10.7270/Q2M908MP
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50284006
PNG
(CHEMBL438380 | Trp-Ile-Ile-Asp-Leu-Hisc(Cys-Ser-Ao...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)NCCCCCCCC(=O)N[C@H](C(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C79H112N16O18S2/c1-9-45(7)66(77(110)90-60(79(112)113)34-49-37-83-54-24-19-18-23-52(49)54)95-78(111)67(46(8)10-2)94-74(107)59(36-64(99)100)88-70(103)55(31-43(3)4)85-73(106)58(35-50-38-81-42-84-50)87-75(108)62-41-115-114-40-53(80)68(101)91-61(39-96)69(102)82-30-20-13-11-12-17-25-63(98)93-65(44(5)6)76(109)89-57(33-48-26-28-51(97)29-27-48)71(104)86-56(72(105)92-62)32-47-21-15-14-16-22-47/h14-16,18-19,21-24,26-29,37-38,42-46,53,55-62,65-67,83,96-97H,9-13,17,20,25,30-36,39-41,80H2,1-8H3,(H,81,84)(H,82,102)(H,85,106)(H,86,104)(H,87,108)(H,88,103)(H,89,109)(H,90,110)(H,91,101)(H,92,105)(H,93,98)(H,94,107)(H,95,111)(H,99,100)(H,112,113)/t45-,46-,53-,55-,56+,57-,58-,59-,60-,61-,62+,65+,66-,67-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Endothelin B receptor in rat cerebellar membrane (ET-B) from adult blue laurie rat


Bioorg Med Chem Lett 4: 567-572 (1994)


Article DOI: 10.1016/S0960-894X(01)80156-6
BindingDB Entry DOI: 10.7270/Q2TT4QW6
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50366424
PNG
(CHEMBL2369709)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C43H58N8O9/c1-6-25(4)37(41(57)49-34(43(59)60)21-28-23-45-30-16-11-10-15-29(28)30)50-40(56)35-17-12-18-51(35)42(58)33(22-36(44)53)48-38(54)31(19-24(2)3)47-39(55)32(46-26(5)52)20-27-13-8-7-9-14-27/h7-11,13-16,23-25,31-35,37,45H,6,12,17-22H2,1-5H3,(H2,44,53)(H,46,52)(H,47,55)(H,48,54)(H,49,57)(H,50,56)(H,59,60)/t25-,31-,32+,33-,34-,35-,37-/m0/s1
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n/an/a 270n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-endothelin-3 [ET-3] binding to endothelin B receptor (ETB) of rat cerebellum


Bioorg Med Chem Lett 5: 967-972 (1995)


Article DOI: 10.1016/0960-894X(95)00152-J
BindingDB Entry DOI: 10.7270/Q2MG7PZH
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50284008
PNG
(CHEMBL265164 | Trp-Ile-Ile-Asp-Leu-Hisc(Cys-Ser-Ap...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)NCCCCC(=O)N[C@H](C(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C76H106N16O18S2/c1-9-42(7)63(74(107)87-57(76(109)110)31-46-34-80-51-21-15-14-20-49(46)51)92-75(108)64(43(8)10-2)91-71(104)56(33-61(96)97)85-67(100)52(28-40(3)4)82-70(103)55(32-47-35-78-39-81-47)84-72(105)59-38-112-111-37-50(77)65(98)88-58(36-93)66(99)79-27-17-16-22-60(95)90-62(41(5)6)73(106)86-54(30-45-23-25-48(94)26-24-45)68(101)83-53(69(102)89-59)29-44-18-12-11-13-19-44/h11-15,18-21,23-26,34-35,39-43,50,52-59,62-64,80,93-94H,9-10,16-17,22,27-33,36-38,77H2,1-8H3,(H,78,81)(H,79,99)(H,82,103)(H,83,101)(H,84,105)(H,85,100)(H,86,106)(H,87,107)(H,88,98)(H,89,102)(H,90,95)(H,91,104)(H,92,108)(H,96,97)(H,109,110)/t42-,43-,50-,52-,53+,54-,55-,56-,57-,58-,59+,62+,63-,64-/m0/s1
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n/an/a 350n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against endothelin receptor in rat cerebellar membrane (ET-B) from adult blue laurie rat


Bioorg Med Chem Lett 4: 567-572 (1994)


Article DOI: 10.1016/S0960-894X(01)80156-6
BindingDB Entry DOI: 10.7270/Q2TT4QW6
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50281564
PNG
((S)-4-((R)-2-Acetylamino-3-phenyl-propionylamino)-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C43H57N7O12/c1-6-23(3)36(41(59)48-33(43(61)62)20-27-22-44-29-16-12-11-15-28(27)29)50-42(60)37(24(4)7-2)49-40(58)32(21-35(54)55)47-38(56)30(17-18-34(52)53)46-39(57)31(45-25(5)51)19-26-13-9-8-10-14-26/h8-16,22-24,30-33,36-37,44H,6-7,17-21H2,1-5H3,(H,45,51)(H,46,57)(H,47,56)(H,48,59)(H,49,58)(H,50,60)(H,52,53)(H,54,55)(H,61,62)/t23-,24-,30-,31+,32-,33-,36-,37-/m0/s1
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n/an/a 650n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-ET-1 from Endothelin A receptor of rabbit renal artery vascular smooth muscle cells


Bioorg Med Chem Lett 3: 497-502 (1993)


Article DOI: 10.1016/S0960-894X(01)81215-4
BindingDB Entry DOI: 10.7270/Q2M908MP
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50045227
PNG
((S)-3-[2-((R)-2-Acetylamino-3-phenyl-propionylamin...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C43H60N8O10/c1-6-24(3)36(41(58)49-34(43(60)61)21-28-23-45-30-17-12-11-16-29(28)30)51-42(59)37(25(4)7-2)50-40(57)33(22-35(53)54)48-38(55)31(18-13-19-44)47-39(56)32(46-26(5)52)20-27-14-9-8-10-15-27/h8-12,14-17,23-25,31-34,36-37,45H,6-7,13,18-22,44H2,1-5H3,(H,46,52)(H,47,56)(H,48,55)(H,49,58)(H,50,57)(H,51,59)(H,53,54)(H,60,61)/t24-,25-,31-,32+,33-,34-,36-,37-/m0/s1
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n/an/a 750n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-ET-1 from Endothelin A receptor of rabbit renal artery vascular smooth muscle cells


Bioorg Med Chem Lett 3: 497-502 (1993)


Article DOI: 10.1016/S0960-894X(01)81215-4
BindingDB Entry DOI: 10.7270/Q2M908MP
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50366416
PNG
(CHEMBL2369713)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C49H62N8O9/c1-6-29(4)42(46(62)55-38(49(65)66)25-33-27-51-35-21-14-13-20-34(33)35)56-45(61)39-22-15-23-57(39)48(64)37(26-40(50)59)54-44(60)36(24-28(2)3)53-47(63)43(52-30(5)58)41(31-16-9-7-10-17-31)32-18-11-8-12-19-32/h7-14,16-21,27-29,36-39,41-43,51H,6,15,22-26H2,1-5H3,(H2,50,59)(H,52,58)(H,53,63)(H,54,60)(H,55,62)(H,56,61)(H,65,66)/t29-,36-,37-,38-,39-,42-,43-/m0/s1
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n/an/a 780n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-endothelin-3 [ET-3] binding to endothelin B receptor (ETB) of rat cerebellum


Bioorg Med Chem Lett 5: 967-972 (1995)


Article DOI: 10.1016/0960-894X(95)00152-J
BindingDB Entry DOI: 10.7270/Q2MG7PZH
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50281565
PNG
((S)-3-[(R)-2-((R)-2-Acetylamino-3-phenyl-propionyl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(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/C47H59N7O10/c1-6-27(3)40(45(61)52-38(47(63)64)24-32-26-48-34-21-15-14-20-33(32)34)54-46(62)41(28(4)7-2)53-44(60)37(25-39(56)57)51-43(59)36(23-31-18-12-9-13-19-31)50-42(58)35(49-29(5)55)22-30-16-10-8-11-17-30/h8-21,26-28,35-38,40-41,48H,6-7,22-25H2,1-5H3,(H,49,55)(H,50,58)(H,51,59)(H,52,61)(H,53,60)(H,54,62)(H,56,57)(H,63,64)/t27-,28-,35+,36+,37-,38-,40-,41-/m0/s1
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n/an/a 930n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-ET-1 from Endothelin A receptor of rabbit renal artery vascular smooth muscle cells


Bioorg Med Chem Lett 3: 497-502 (1993)


Article DOI: 10.1016/S0960-894X(01)81215-4
BindingDB Entry DOI: 10.7270/Q2M908MP
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50284011
PNG
(CHEMBL438768 | Trp-Ile-Ile-Asp-Leu-Hisc(Cys-Ser-As...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C86H121N19O24S2/c1-9-45(7)70(84(126)100-63(86(128)129)33-49-37-90-54-21-15-14-20-52(49)54)105-85(127)71(46(8)10-2)104-80(122)62(36-68(112)113)97-75(117)57(30-43(3)4)94-78(120)60(34-50-38-89-42-91-50)96-82(124)65-41-131-130-40-53(88)72(114)101-64(39-106)81(123)98-61(35-67(110)111)79(121)92-55(22-16-17-29-87)73(115)93-56(27-28-66(108)109)74(116)103-69(44(5)6)83(125)99-59(32-48-23-25-51(107)26-24-48)76(118)95-58(77(119)102-65)31-47-18-12-11-13-19-47/h11-15,18-21,23-26,37-38,42-46,53,55-65,69-71,90,106-107H,9-10,16-17,22,27-36,39-41,87-88H2,1-8H3,(H,89,91)(H,92,121)(H,93,115)(H,94,120)(H,95,118)(H,96,124)(H,97,117)(H,98,123)(H,99,125)(H,100,126)(H,101,114)(H,102,119)(H,103,116)(H,104,122)(H,105,127)(H,108,109)(H,110,111)(H,112,113)(H,128,129)/t45-,46-,53-,55-,56+,57-,58-,59+,60-,61+,62-,63-,64-,65+,69-,70-,71-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Endothelin B receptor in rat cerebellar membrane (ET-B) from adult blue laurie rat


Bioorg Med Chem Lett 4: 567-572 (1994)


Article DOI: 10.1016/S0960-894X(01)80156-6
BindingDB Entry DOI: 10.7270/Q2TT4QW6
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50045240
PNG
((S)-2-[(S)-2-((2S,5S)-2-{(S)-2-[(S)-2-((R)-2-Acety...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C49H65N7O8/c1-8-30(5)42(47(61)54-41(49(63)64)27-35-28-50-37-23-17-16-22-36(35)37)56-48(62)43(31(6)9-2)55-46(60)40(26-34-20-14-11-15-21-34)53-44(58)38(24-29(3)4)52-45(59)39(51-32(7)57)25-33-18-12-10-13-19-33/h10-23,28-31,38-43,50H,8-9,24-27H2,1-7H3,(H,51,57)(H,52,59)(H,53,58)(H,54,61)(H,55,60)(H,56,62)(H,63,64)/t30-,31-,38-,39+,40-,41-,42-,43-/m0/s1
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n/an/a 1.18E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-ET-1 from Endothelin A receptor of rabbit renal artery vascular smooth muscle cells


Bioorg Med Chem Lett 3: 497-502 (1993)


Article DOI: 10.1016/S0960-894X(01)81215-4
BindingDB Entry DOI: 10.7270/Q2M908MP
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50284007
PNG
(CHEMBL412460 | Trp-Ile-Ile-Asp-Leu-Hisc(Cys-Ser-Se...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C77H107N17O21S2/c1-9-40(7)62(75(112)87-55(77(114)115)27-44-30-80-49-19-15-14-18-47(44)49)94-76(113)63(41(8)10-2)93-69(106)54(29-60(99)100)85-65(102)50(24-38(3)4)82-68(105)53(28-45-31-79-37-81-45)84-73(110)59-36-117-116-35-48(78)64(101)88-56(32-95)70(107)89-57(33-96)71(108)90-58(34-97)72(109)92-61(39(5)6)74(111)86-52(26-43-20-22-46(98)23-21-43)66(103)83-51(67(104)91-59)25-42-16-12-11-13-17-42/h11-23,30-31,37-41,48,50-59,61-63,80,95-98H,9-10,24-29,32-36,78H2,1-8H3,(H,79,81)(H,82,105)(H,83,103)(H,84,110)(H,85,102)(H,86,111)(H,87,112)(H,88,101)(H,89,107)(H,90,108)(H,91,104)(H,92,109)(H,93,106)(H,94,113)(H,99,100)(H,114,115)/t40-,41-,48-,50-,51-,52+,53-,54-,55-,56-,57-,58-,59+,61-,62-,63-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity against Endothelin A receptor by using endothelin (ET-1) as radioligand in rat heart ventricle


Bioorg Med Chem Lett 4: 567-572 (1994)


Article DOI: 10.1016/S0960-894X(01)80156-6
BindingDB Entry DOI: 10.7270/Q2TT4QW6
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50281564
PNG
((S)-4-((R)-2-Acetylamino-3-phenyl-propionylamino)-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C43H57N7O12/c1-6-23(3)36(41(59)48-33(43(61)62)20-27-22-44-29-16-12-11-15-28(27)29)50-42(60)37(24(4)7-2)49-40(58)32(21-35(54)55)47-38(56)30(17-18-34(52)53)46-39(57)31(45-25(5)51)19-26-13-9-8-10-14-26/h8-16,22-24,30-33,36-37,44H,6-7,17-21H2,1-5H3,(H,45,51)(H,46,57)(H,47,56)(H,48,59)(H,49,58)(H,50,60)(H,52,53)(H,54,55)(H,61,62)/t23-,24-,30-,31+,32-,33-,36-,37-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-ET-1 from Endothelin B receptor of rat cerebellum


Bioorg Med Chem Lett 3: 497-502 (1993)


Article DOI: 10.1016/S0960-894X(01)81215-4
BindingDB Entry DOI: 10.7270/Q2M908MP
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50284010
PNG
(CHEMBL436899 | Trp-Ile-Ile-Asp-Leu-Hisc(Cys-Ser-Se...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C74H102N16O19S2/c1-9-39(7)60(72(106)84-54(74(108)109)27-43-30-77-48-19-15-14-18-46(43)48)90-73(107)61(40(8)10-2)89-67(101)53(29-58(94)95)82-63(97)49(24-37(3)4)79-66(100)52(28-44-31-76-36-78-44)81-70(104)57-35-111-110-34-47(75)62(96)85-55(32-91)68(102)86-56(33-92)69(103)88-59(38(5)6)71(105)83-51(26-42-20-22-45(93)23-21-42)64(98)80-50(65(99)87-57)25-41-16-12-11-13-17-41/h11-23,30-31,36-40,47,49-57,59-61,77,91-93H,9-10,24-29,32-35,75H2,1-8H3,(H,76,78)(H,79,100)(H,80,98)(H,81,104)(H,82,97)(H,83,105)(H,84,106)(H,85,96)(H,86,102)(H,87,99)(H,88,103)(H,89,101)(H,90,107)(H,94,95)(H,108,109)/t39-,40-,47-,49-,50-,51+,52-,53-,54-,55-,56-,57+,59-,60-,61-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Endothelin B receptor in rat cerebellar membrane (ET-B) from adult blue laurie rat


Bioorg Med Chem Lett 4: 567-572 (1994)


Article DOI: 10.1016/S0960-894X(01)80156-6
BindingDB Entry DOI: 10.7270/Q2TT4QW6
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50284006
PNG
(CHEMBL438380 | Trp-Ile-Ile-Asp-Leu-Hisc(Cys-Ser-Ao...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)NCCCCCCCC(=O)N[C@H](C(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C79H112N16O18S2/c1-9-45(7)66(77(110)90-60(79(112)113)34-49-37-83-54-24-19-18-23-52(49)54)95-78(111)67(46(8)10-2)94-74(107)59(36-64(99)100)88-70(103)55(31-43(3)4)85-73(106)58(35-50-38-81-42-84-50)87-75(108)62-41-115-114-40-53(80)68(101)91-61(39-96)69(102)82-30-20-13-11-12-17-25-63(98)93-65(44(5)6)76(109)89-57(33-48-26-28-51(97)29-27-48)71(104)86-56(72(105)92-62)32-47-21-15-14-16-22-47/h14-16,18-19,21-24,26-29,37-38,42-46,53,55-62,65-67,83,96-97H,9-13,17,20,25,30-36,39-41,80H2,1-8H3,(H,81,84)(H,82,102)(H,85,106)(H,86,104)(H,87,108)(H,88,103)(H,89,109)(H,90,110)(H,91,101)(H,92,105)(H,93,98)(H,94,107)(H,95,111)(H,99,100)(H,112,113)/t45-,46-,53-,55-,56+,57-,58-,59-,60-,61-,62+,65+,66-,67-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity against Endothelin A receptor by using endothelin (ET-1) as radioligand in rat heart ventricle


Bioorg Med Chem Lett 4: 567-572 (1994)


Article DOI: 10.1016/S0960-894X(01)80156-6
BindingDB Entry DOI: 10.7270/Q2TT4QW6
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50284014
PNG
(CHEMBL436884 | Trp-Ile-Ile-Asp-Leu-Hisc(Cys-Val-Ty...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CSSC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C68H92N14O15S2/c1-9-37(7)56(66(94)78-52(68(96)97)27-41-30-71-46-19-15-14-18-44(41)46)82-67(95)57(38(8)10-2)81-63(91)51(29-54(84)85)76-59(87)47(24-35(3)4)73-62(90)50(28-42-31-70-34-72-42)75-64(92)53-33-99-98-32-45(69)58(86)80-55(36(5)6)65(93)77-49(26-40-20-22-43(83)23-21-40)60(88)74-48(61(89)79-53)25-39-16-12-11-13-17-39/h11-23,30-31,34-38,45,47-53,55-57,71,83H,9-10,24-29,32-33,69H2,1-8H3,(H,70,72)(H,73,90)(H,74,88)(H,75,92)(H,76,87)(H,77,93)(H,78,94)(H,79,89)(H,80,86)(H,81,91)(H,82,95)(H,84,85)(H,96,97)/t37-,38-,45-,47-,48-,49+,50-,51-,52-,53+,55-,56-,57-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Endothelin B receptor in rat cerebellar membrane (ET-B) from adult blue laurie rat


Bioorg Med Chem Lett 4: 567-572 (1994)


Article DOI: 10.1016/S0960-894X(01)80156-6
BindingDB Entry DOI: 10.7270/Q2TT4QW6
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50284009
PNG
(CHEMBL408141 | Trp-Ile-Ile-Asp-Leu-Hisc(Cys-Ser-Va...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C71H97N15O17S2/c1-9-38(7)58(69(100)81-53(71(102)103)27-42-30-74-47-19-15-14-18-45(42)47)86-70(101)59(39(8)10-2)85-65(96)52(29-56(89)90)79-61(92)48(24-36(3)4)76-64(95)51(28-43-31-73-35-75-43)78-67(98)55-34-105-104-33-46(72)60(91)82-54(32-87)66(97)84-57(37(5)6)68(99)80-50(26-41-20-22-44(88)23-21-41)62(93)77-49(63(94)83-55)25-40-16-12-11-13-17-40/h11-23,30-31,35-39,46,48-55,57-59,74,87-88H,9-10,24-29,32-34,72H2,1-8H3,(H,73,75)(H,76,95)(H,77,93)(H,78,98)(H,79,92)(H,80,99)(H,81,100)(H,82,91)(H,83,94)(H,84,97)(H,85,96)(H,86,101)(H,89,90)(H,102,103)/t38-,39-,46-,48-,49-,50+,51-,52-,53-,54-,55+,57-,58-,59-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Endothelin B receptor in rat cerebellar membrane (ET-B) from adult blue laurie rat


Bioorg Med Chem Lett 4: 567-572 (1994)


Article DOI: 10.1016/S0960-894X(01)80156-6
BindingDB Entry DOI: 10.7270/Q2TT4QW6
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50366423
PNG
(CHEMBL1791279)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(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/C44H61N7O10/c1-8-25(5)37(42(58)49-35(44(60)61)21-29-23-45-31-18-14-13-17-30(29)31)51-43(59)38(26(6)9-2)50-41(57)34(22-36(53)54)48-39(55)32(19-24(3)4)47-40(56)33(46-27(7)52)20-28-15-11-10-12-16-28/h10-18,23-26,32-35,37-38,45H,8-9,19-22H2,1-7H3,(H,46,52)(H,47,56)(H,48,55)(H,49,58)(H,50,57)(H,51,59)(H,53,54)(H,60,61)/t25-,26+,32-,33+,34-,35-,37-,38-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]endothelin-1 [ET-1] binding to endothelin A receptor (ETA) of rabbit renal artery vascular smooth muscle cells


Bioorg Med Chem Lett 5: 967-972 (1995)


Article DOI: 10.1016/0960-894X(95)00152-J
BindingDB Entry DOI: 10.7270/Q2MG7PZH
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50284010
PNG
(CHEMBL436899 | Trp-Ile-Ile-Asp-Leu-Hisc(Cys-Ser-Se...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C74H102N16O19S2/c1-9-39(7)60(72(106)84-54(74(108)109)27-43-30-77-48-19-15-14-18-46(43)48)90-73(107)61(40(8)10-2)89-67(101)53(29-58(94)95)82-63(97)49(24-37(3)4)79-66(100)52(28-44-31-76-36-78-44)81-70(104)57-35-111-110-34-47(75)62(96)85-55(32-91)68(102)86-56(33-92)69(103)88-59(38(5)6)71(105)83-51(26-42-20-22-45(93)23-21-42)64(98)80-50(65(99)87-57)25-41-16-12-11-13-17-41/h11-23,30-31,36-40,47,49-57,59-61,77,91-93H,9-10,24-29,32-35,75H2,1-8H3,(H,76,78)(H,79,100)(H,80,98)(H,81,104)(H,82,97)(H,83,105)(H,84,106)(H,85,96)(H,86,102)(H,87,99)(H,88,103)(H,89,101)(H,90,107)(H,94,95)(H,108,109)/t39-,40-,47-,49-,50-,51+,52-,53-,54-,55-,56-,57+,59-,60-,61-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity against Endothelin A receptor by using endothelin (ET-1) as radioligand in rat heart ventricle


Bioorg Med Chem Lett 4: 567-572 (1994)


Article DOI: 10.1016/S0960-894X(01)80156-6
BindingDB Entry DOI: 10.7270/Q2TT4QW6
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50284006
PNG
(CHEMBL438380 | Trp-Ile-Ile-Asp-Leu-Hisc(Cys-Ser-Ao...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)NCCCCCCCC(=O)N[C@H](C(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C79H112N16O18S2/c1-9-45(7)66(77(110)90-60(79(112)113)34-49-37-83-54-24-19-18-23-52(49)54)95-78(111)67(46(8)10-2)94-74(107)59(36-64(99)100)88-70(103)55(31-43(3)4)85-73(106)58(35-50-38-81-42-84-50)87-75(108)62-41-115-114-40-53(80)68(101)91-61(39-96)69(102)82-30-20-13-11-12-17-25-63(98)93-65(44(5)6)76(109)89-57(33-48-26-28-51(97)29-27-48)71(104)86-56(72(105)92-62)32-47-21-15-14-16-22-47/h14-16,18-19,21-24,26-29,37-38,42-46,53,55-62,65-67,83,96-97H,9-13,17,20,25,30-36,39-41,80H2,1-8H3,(H,81,84)(H,82,102)(H,85,106)(H,86,104)(H,87,108)(H,88,103)(H,89,109)(H,90,110)(H,91,101)(H,92,105)(H,93,98)(H,94,107)(H,95,111)(H,99,100)(H,112,113)/t45-,46-,53-,55-,56+,57-,58-,59-,60-,61-,62+,65+,66-,67-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Endothelin A receptor in rabbit renal artery vascular smooth muscle membrane (ET-A)


Bioorg Med Chem Lett 4: 567-572 (1994)


Article DOI: 10.1016/S0960-894X(01)80156-6
BindingDB Entry DOI: 10.7270/Q2TT4QW6
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50284008
PNG
(CHEMBL265164 | Trp-Ile-Ile-Asp-Leu-Hisc(Cys-Ser-Ap...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)NCCCCC(=O)N[C@H](C(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C76H106N16O18S2/c1-9-42(7)63(74(107)87-57(76(109)110)31-46-34-80-51-21-15-14-20-49(46)51)92-75(108)64(43(8)10-2)91-71(104)56(33-61(96)97)85-67(100)52(28-40(3)4)82-70(103)55(32-47-35-78-39-81-47)84-72(105)59-38-112-111-37-50(77)65(98)88-58(36-93)66(99)79-27-17-16-22-60(95)90-62(41(5)6)73(106)86-54(30-45-23-25-48(94)26-24-45)68(101)83-53(69(102)89-59)29-44-18-12-11-13-19-44/h11-15,18-21,23-26,34-35,39-43,50,52-59,62-64,80,93-94H,9-10,16-17,22,27-33,36-38,77H2,1-8H3,(H,78,81)(H,79,99)(H,82,103)(H,83,101)(H,84,105)(H,85,100)(H,86,106)(H,87,107)(H,88,98)(H,89,102)(H,90,95)(H,91,104)(H,92,108)(H,96,97)(H,109,110)/t42-,43-,50-,52-,53+,54-,55-,56-,57-,58-,59+,62+,63-,64-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity against Endothelin A receptor by using endothelin (ET-1) as radioligand in rat heart ventricle


Bioorg Med Chem Lett 4: 567-572 (1994)


Article DOI: 10.1016/S0960-894X(01)80156-6
BindingDB Entry DOI: 10.7270/Q2TT4QW6
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50366423
PNG
(CHEMBL1791279)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(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/C44H61N7O10/c1-8-25(5)37(42(58)49-35(44(60)61)21-29-23-45-31-18-14-13-17-30(29)31)51-43(59)38(26(6)9-2)50-41(57)34(22-36(53)54)48-39(55)32(19-24(3)4)47-40(56)33(46-27(7)52)20-28-15-11-10-12-16-28/h10-18,23-26,32-35,37-38,45H,8-9,19-22H2,1-7H3,(H,46,52)(H,47,56)(H,48,55)(H,49,58)(H,50,57)(H,51,59)(H,53,54)(H,60,61)/t25-,26+,32-,33+,34-,35-,37-,38-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-endothelin-3 [ET-3] binding to endothelin B receptor (ETB) of rat cerebellum


Bioorg Med Chem Lett 5: 967-972 (1995)


Article DOI: 10.1016/0960-894X(95)00152-J
BindingDB Entry DOI: 10.7270/Q2MG7PZH
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50284010
PNG
(CHEMBL436899 | Trp-Ile-Ile-Asp-Leu-Hisc(Cys-Ser-Se...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C74H102N16O19S2/c1-9-39(7)60(72(106)84-54(74(108)109)27-43-30-77-48-19-15-14-18-46(43)48)90-73(107)61(40(8)10-2)89-67(101)53(29-58(94)95)82-63(97)49(24-37(3)4)79-66(100)52(28-44-31-76-36-78-44)81-70(104)57-35-111-110-34-47(75)62(96)85-55(32-91)68(102)86-56(33-92)69(103)88-59(38(5)6)71(105)83-51(26-42-20-22-45(93)23-21-42)64(98)80-50(65(99)87-57)25-41-16-12-11-13-17-41/h11-23,30-31,36-40,47,49-57,59-61,77,91-93H,9-10,24-29,32-35,75H2,1-8H3,(H,76,78)(H,79,100)(H,80,98)(H,81,104)(H,82,97)(H,83,105)(H,84,106)(H,85,96)(H,86,102)(H,87,99)(H,88,103)(H,89,101)(H,90,107)(H,94,95)(H,108,109)/t39-,40-,47-,49-,50-,51+,52-,53-,54-,55-,56-,57+,59-,60-,61-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Endothelin A receptor in rabbit renal artery vascular smooth muscle membrane (ET-A)


Bioorg Med Chem Lett 4: 567-572 (1994)


Article DOI: 10.1016/S0960-894X(01)80156-6
BindingDB Entry DOI: 10.7270/Q2TT4QW6
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50284012
PNG
(CHEMBL414448 | Trp-Ile-Ile-Asp-Leu-Hisc(Cys-Ser-Ah...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)NCCCCCCC(=O)N[C@H](C(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C78H110N16O18S2/c1-9-44(7)65(76(109)89-59(78(111)112)33-48-36-82-53-23-18-17-22-51(48)53)94-77(110)66(45(8)10-2)93-73(106)58(35-63(98)99)87-69(102)54(30-42(3)4)84-72(105)57(34-49-37-80-41-83-49)86-74(107)61-40-114-113-39-52(79)67(100)90-60(38-95)68(101)81-29-19-12-11-16-24-62(97)92-64(43(5)6)75(108)88-56(32-47-25-27-50(96)28-26-47)70(103)85-55(71(104)91-61)31-46-20-14-13-15-21-46/h13-15,17-18,20-23,25-28,36-37,41-45,52,54-61,64-66,82,95-96H,9-12,16,19,24,29-35,38-40,79H2,1-8H3,(H,80,83)(H,81,101)(H,84,105)(H,85,103)(H,86,107)(H,87,102)(H,88,108)(H,89,109)(H,90,100)(H,91,104)(H,92,97)(H,93,106)(H,94,110)(H,98,99)(H,111,112)/t44-,45-,52-,54-,55+,56-,57-,58-,59-,60-,61+,64+,65-,66-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity against Endothelin A receptor by using endothelin (ET-1) as radioligand in rat heart ventricle


Bioorg Med Chem Lett 4: 567-572 (1994)


Article DOI: 10.1016/S0960-894X(01)80156-6
BindingDB Entry DOI: 10.7270/Q2TT4QW6
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50284008
PNG
(CHEMBL265164 | Trp-Ile-Ile-Asp-Leu-Hisc(Cys-Ser-Ap...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)NCCCCC(=O)N[C@H](C(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C76H106N16O18S2/c1-9-42(7)63(74(107)87-57(76(109)110)31-46-34-80-51-21-15-14-20-49(46)51)92-75(108)64(43(8)10-2)91-71(104)56(33-61(96)97)85-67(100)52(28-40(3)4)82-70(103)55(32-47-35-78-39-81-47)84-72(105)59-38-112-111-37-50(77)65(98)88-58(36-93)66(99)79-27-17-16-22-60(95)90-62(41(5)6)73(106)86-54(30-45-23-25-48(94)26-24-45)68(101)83-53(69(102)89-59)29-44-18-12-11-13-19-44/h11-15,18-21,23-26,34-35,39-43,50,52-59,62-64,80,93-94H,9-10,16-17,22,27-33,36-38,77H2,1-8H3,(H,78,81)(H,79,99)(H,82,103)(H,83,101)(H,84,105)(H,85,100)(H,86,106)(H,87,107)(H,88,98)(H,89,102)(H,90,95)(H,91,104)(H,92,108)(H,96,97)(H,109,110)/t42-,43-,50-,52-,53+,54-,55-,56-,57-,58-,59+,62+,63-,64-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Endothelin A receptor in rabbit renal artery vascular smooth muscle membrane (ET-A)


Bioorg Med Chem Lett 4: 567-572 (1994)


Article DOI: 10.1016/S0960-894X(01)80156-6
BindingDB Entry DOI: 10.7270/Q2TT4QW6
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50284007
PNG
(CHEMBL412460 | Trp-Ile-Ile-Asp-Leu-Hisc(Cys-Ser-Se...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C77H107N17O21S2/c1-9-40(7)62(75(112)87-55(77(114)115)27-44-30-80-49-19-15-14-18-47(44)49)94-76(113)63(41(8)10-2)93-69(106)54(29-60(99)100)85-65(102)50(24-38(3)4)82-68(105)53(28-45-31-79-37-81-45)84-73(110)59-36-117-116-35-48(78)64(101)88-56(32-95)70(107)89-57(33-96)71(108)90-58(34-97)72(109)92-61(39(5)6)74(111)86-52(26-43-20-22-46(98)23-21-43)66(103)83-51(67(104)91-59)25-42-16-12-11-13-17-42/h11-23,30-31,37-41,48,50-59,61-63,80,95-98H,9-10,24-29,32-36,78H2,1-8H3,(H,79,81)(H,82,105)(H,83,103)(H,84,110)(H,85,102)(H,86,111)(H,87,112)(H,88,101)(H,89,107)(H,90,108)(H,91,104)(H,92,109)(H,93,106)(H,94,113)(H,99,100)(H,114,115)/t40-,41-,48-,50-,51-,52+,53-,54-,55-,56-,57-,58-,59+,61-,62-,63-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Endothelin A receptor in rabbit renal artery vascular smooth muscle membrane (ET-A)


Bioorg Med Chem Lett 4: 567-572 (1994)


Article DOI: 10.1016/S0960-894X(01)80156-6
BindingDB Entry DOI: 10.7270/Q2TT4QW6
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50284014
PNG
(CHEMBL436884 | Trp-Ile-Ile-Asp-Leu-Hisc(Cys-Val-Ty...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CSSC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C68H92N14O15S2/c1-9-37(7)56(66(94)78-52(68(96)97)27-41-30-71-46-19-15-14-18-44(41)46)82-67(95)57(38(8)10-2)81-63(91)51(29-54(84)85)76-59(87)47(24-35(3)4)73-62(90)50(28-42-31-70-34-72-42)75-64(92)53-33-99-98-32-45(69)58(86)80-55(36(5)6)65(93)77-49(26-40-20-22-43(83)23-21-40)60(88)74-48(61(89)79-53)25-39-16-12-11-13-17-39/h11-23,30-31,34-38,45,47-53,55-57,71,83H,9-10,24-29,32-33,69H2,1-8H3,(H,70,72)(H,73,90)(H,74,88)(H,75,92)(H,76,87)(H,77,93)(H,78,94)(H,79,89)(H,80,86)(H,81,91)(H,82,95)(H,84,85)(H,96,97)/t37-,38-,45-,47-,48-,49+,50-,51-,52-,53+,55-,56-,57-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Endothelin A receptor in rabbit renal artery vascular smooth muscle membrane (ET-A)


Bioorg Med Chem Lett 4: 567-572 (1994)


Article DOI: 10.1016/S0960-894X(01)80156-6
BindingDB Entry DOI: 10.7270/Q2TT4QW6
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50284009
PNG
(CHEMBL408141 | Trp-Ile-Ile-Asp-Leu-Hisc(Cys-Ser-Va...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C71H97N15O17S2/c1-9-38(7)58(69(100)81-53(71(102)103)27-42-30-74-47-19-15-14-18-45(42)47)86-70(101)59(39(8)10-2)85-65(96)52(29-56(89)90)79-61(92)48(24-36(3)4)76-64(95)51(28-43-31-73-35-75-43)78-67(98)55-34-105-104-33-46(72)60(91)82-54(32-87)66(97)84-57(37(5)6)68(99)80-50(26-41-20-22-44(88)23-21-41)62(93)77-49(63(94)83-55)25-40-16-12-11-13-17-40/h11-23,30-31,35-39,46,48-55,57-59,74,87-88H,9-10,24-29,32-34,72H2,1-8H3,(H,73,75)(H,76,95)(H,77,93)(H,78,98)(H,79,92)(H,80,99)(H,81,100)(H,82,91)(H,83,94)(H,84,97)(H,85,96)(H,86,101)(H,89,90)(H,102,103)/t38-,39-,46-,48-,49-,50+,51-,52-,53-,54-,55+,57-,58-,59-/m0/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity against Endothelin A receptor by using endothelin (ET-1) as radioligand in rat heart ventricle


Bioorg Med Chem Lett 4: 567-572 (1994)


Article DOI: 10.1016/S0960-894X(01)80156-6
BindingDB Entry DOI: 10.7270/Q2TT4QW6
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50001217
PNG
(3-[2-(2-Acetylamino-3-phenyl-propionylamino)-4-met...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(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/C44H61N7O10/c1-8-25(5)37(42(58)49-35(44(60)61)21-29-23-45-31-18-14-13-17-30(29)31)51-43(59)38(26(6)9-2)50-41(57)34(22-36(53)54)48-39(55)32(19-24(3)4)47-40(56)33(46-27(7)52)20-28-15-11-10-12-16-28/h10-18,23-26,32-35,37-38,45H,8-9,19-22H2,1-7H3,(H,46,52)(H,47,56)(H,48,55)(H,49,58)(H,50,57)(H,51,59)(H,53,54)(H,60,61)/t25-,26-,32-,33+,34-,35-,37-,38-/m0/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-ET-1 from Endothelin B receptor of rat cerebellum


Bioorg Med Chem Lett 3: 497-502 (1993)


Article DOI: 10.1016/S0960-894X(01)81215-4
BindingDB Entry DOI: 10.7270/Q2M908MP
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50366416
PNG
(CHEMBL2369713)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C49H62N8O9/c1-6-29(4)42(46(62)55-38(49(65)66)25-33-27-51-35-21-14-13-20-34(33)35)56-45(61)39-22-15-23-57(39)48(64)37(26-40(50)59)54-44(60)36(24-28(2)3)53-47(63)43(52-30(5)58)41(31-16-9-7-10-17-31)32-18-11-8-12-19-32/h7-14,16-21,27-29,36-39,41-43,51H,6,15,22-26H2,1-5H3,(H2,50,59)(H,52,58)(H,53,63)(H,54,60)(H,55,62)(H,56,61)(H,65,66)/t29-,36-,37-,38-,39-,42-,43-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]endothelin-1 [ET-1] binding to endothelin A receptor (ETA) of rabbit renal artery vascular smooth muscle cells


Bioorg Med Chem Lett 5: 967-972 (1995)


Article DOI: 10.1016/0960-894X(95)00152-J
BindingDB Entry DOI: 10.7270/Q2MG7PZH
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50001217
PNG
(3-[2-(2-Acetylamino-3-phenyl-propionylamino)-4-met...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(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/C44H61N7O10/c1-8-25(5)37(42(58)49-35(44(60)61)21-29-23-45-31-18-14-13-17-30(29)31)51-43(59)38(26(6)9-2)50-41(57)34(22-36(53)54)48-39(55)32(19-24(3)4)47-40(56)33(46-27(7)52)20-28-15-11-10-12-16-28/h10-18,23-26,32-35,37-38,45H,8-9,19-22H2,1-7H3,(H,46,52)(H,47,56)(H,48,55)(H,49,58)(H,50,57)(H,51,59)(H,53,54)(H,60,61)/t25-,26-,32-,33+,34-,35-,37-,38-/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-ET-1 from Endothelin B receptor of rat cerebellum


Bioorg Med Chem Lett 3: 497-502 (1993)


Article DOI: 10.1016/S0960-894X(01)81215-4
BindingDB Entry DOI: 10.7270/Q2M908MP
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50284011
PNG
(CHEMBL438768 | Trp-Ile-Ile-Asp-Leu-Hisc(Cys-Ser-As...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C86H121N19O24S2/c1-9-45(7)70(84(126)100-63(86(128)129)33-49-37-90-54-21-15-14-20-52(49)54)105-85(127)71(46(8)10-2)104-80(122)62(36-68(112)113)97-75(117)57(30-43(3)4)94-78(120)60(34-50-38-89-42-91-50)96-82(124)65-41-131-130-40-53(88)72(114)101-64(39-106)81(123)98-61(35-67(110)111)79(121)92-55(22-16-17-29-87)73(115)93-56(27-28-66(108)109)74(116)103-69(44(5)6)83(125)99-59(32-48-23-25-51(107)26-24-48)76(118)95-58(77(119)102-65)31-47-18-12-11-13-19-47/h11-15,18-21,23-26,37-38,42-46,53,55-65,69-71,90,106-107H,9-10,16-17,22,27-36,39-41,87-88H2,1-8H3,(H,89,91)(H,92,121)(H,93,115)(H,94,120)(H,95,118)(H,96,124)(H,97,117)(H,98,123)(H,99,125)(H,100,126)(H,101,114)(H,102,119)(H,103,116)(H,104,122)(H,105,127)(H,108,109)(H,110,111)(H,112,113)(H,128,129)/t45-,46-,53-,55-,56+,57-,58-,59+,60-,61+,62-,63-,64-,65+,69-,70-,71-/m0/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity against Endothelin A receptor by using endothelin (ET-1) as radioligand in rat heart ventricle


Bioorg Med Chem Lett 4: 567-572 (1994)


Article DOI: 10.1016/S0960-894X(01)80156-6
BindingDB Entry DOI: 10.7270/Q2TT4QW6
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50284009
PNG
(CHEMBL408141 | Trp-Ile-Ile-Asp-Leu-Hisc(Cys-Ser-Va...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C71H97N15O17S2/c1-9-38(7)58(69(100)81-53(71(102)103)27-42-30-74-47-19-15-14-18-45(42)47)86-70(101)59(39(8)10-2)85-65(96)52(29-56(89)90)79-61(92)48(24-36(3)4)76-64(95)51(28-43-31-73-35-75-43)78-67(98)55-34-105-104-33-46(72)60(91)82-54(32-87)66(97)84-57(37(5)6)68(99)80-50(26-41-20-22-44(88)23-21-41)62(93)77-49(63(94)83-55)25-40-16-12-11-13-17-40/h11-23,30-31,35-39,46,48-55,57-59,74,87-88H,9-10,24-29,32-34,72H2,1-8H3,(H,73,75)(H,76,95)(H,77,93)(H,78,98)(H,79,92)(H,80,99)(H,81,100)(H,82,91)(H,83,94)(H,84,97)(H,85,96)(H,86,101)(H,89,90)(H,102,103)/t38-,39-,46-,48-,49-,50+,51-,52-,53-,54-,55+,57-,58-,59-/m0/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Endothelin A receptor in rabbit renal artery vascular smooth muscle membrane (ET-A)


Bioorg Med Chem Lett 4: 567-572 (1994)


Article DOI: 10.1016/S0960-894X(01)80156-6
BindingDB Entry DOI: 10.7270/Q2TT4QW6
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50045227
PNG
((S)-3-[2-((R)-2-Acetylamino-3-phenyl-propionylamin...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C43H60N8O10/c1-6-24(3)36(41(58)49-34(43(60)61)21-28-23-45-30-17-12-11-16-29(28)30)51-42(59)37(25(4)7-2)50-40(57)33(22-35(53)54)48-38(55)31(18-13-19-44)47-39(56)32(46-26(5)52)20-27-14-9-8-10-15-27/h8-12,14-17,23-25,31-34,36-37,45H,6-7,13,18-22,44H2,1-5H3,(H,46,52)(H,47,56)(H,48,55)(H,49,58)(H,50,57)(H,51,59)(H,53,54)(H,60,61)/t24-,25-,31-,32+,33-,34-,36-,37-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-ET-1 from Endothelin B receptor of rat cerebellum


Bioorg Med Chem Lett 3: 497-502 (1993)


Article DOI: 10.1016/S0960-894X(01)81215-4
BindingDB Entry DOI: 10.7270/Q2M908MP
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50284014
PNG
(CHEMBL436884 | Trp-Ile-Ile-Asp-Leu-Hisc(Cys-Val-Ty...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CSSC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C68H92N14O15S2/c1-9-37(7)56(66(94)78-52(68(96)97)27-41-30-71-46-19-15-14-18-44(41)46)82-67(95)57(38(8)10-2)81-63(91)51(29-54(84)85)76-59(87)47(24-35(3)4)73-62(90)50(28-42-31-70-34-72-42)75-64(92)53-33-99-98-32-45(69)58(86)80-55(36(5)6)65(93)77-49(26-40-20-22-43(83)23-21-40)60(88)74-48(61(89)79-53)25-39-16-12-11-13-17-39/h11-23,30-31,34-38,45,47-53,55-57,71,83H,9-10,24-29,32-33,69H2,1-8H3,(H,70,72)(H,73,90)(H,74,88)(H,75,92)(H,76,87)(H,77,93)(H,78,94)(H,79,89)(H,80,86)(H,81,91)(H,82,95)(H,84,85)(H,96,97)/t37-,38-,45-,47-,48-,49+,50-,51-,52-,53+,55-,56-,57-/m0/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity against Endothelin A receptor by using endothelin (ET-1) as radioligand in rat heart ventricle


Bioorg Med Chem Lett 4: 567-572 (1994)


Article DOI: 10.1016/S0960-894X(01)80156-6
BindingDB Entry DOI: 10.7270/Q2TT4QW6
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50366418
PNG
(CHEMBL2369714)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C40H56N10O9/c1-6-22(4)34(38(56)48-31(40(58)59)15-24-18-43-27-11-8-7-10-26(24)27)49-37(55)32-12-9-13-50(32)39(57)30(17-33(41)52)47-35(53)28(14-21(2)3)46-36(54)29(45-23(5)51)16-25-19-42-20-44-25/h7-8,10-11,18-22,28-32,34,43H,6,9,12-17H2,1-5H3,(H2,41,52)(H,42,44)(H,45,51)(H,46,54)(H,47,53)(H,48,56)(H,49,55)(H,58,59)/t22-,28-,29-,30-,31-,32-,34-/m0/s1
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n/an/a 6.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-endothelin-3 [ET-3] binding to endothelin B receptor (ETB) of rat cerebellum


Bioorg Med Chem Lett 5: 967-972 (1995)


Article DOI: 10.1016/0960-894X(95)00152-J
BindingDB Entry DOI: 10.7270/Q2MG7PZH
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50284011
PNG
(CHEMBL438768 | Trp-Ile-Ile-Asp-Leu-Hisc(Cys-Ser-As...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C86H121N19O24S2/c1-9-45(7)70(84(126)100-63(86(128)129)33-49-37-90-54-21-15-14-20-52(49)54)105-85(127)71(46(8)10-2)104-80(122)62(36-68(112)113)97-75(117)57(30-43(3)4)94-78(120)60(34-50-38-89-42-91-50)96-82(124)65-41-131-130-40-53(88)72(114)101-64(39-106)81(123)98-61(35-67(110)111)79(121)92-55(22-16-17-29-87)73(115)93-56(27-28-66(108)109)74(116)103-69(44(5)6)83(125)99-59(32-48-23-25-51(107)26-24-48)76(118)95-58(77(119)102-65)31-47-18-12-11-13-19-47/h11-15,18-21,23-26,37-38,42-46,53,55-65,69-71,90,106-107H,9-10,16-17,22,27-36,39-41,87-88H2,1-8H3,(H,89,91)(H,92,121)(H,93,115)(H,94,120)(H,95,118)(H,96,124)(H,97,117)(H,98,123)(H,99,125)(H,100,126)(H,101,114)(H,102,119)(H,103,116)(H,104,122)(H,105,127)(H,108,109)(H,110,111)(H,112,113)(H,128,129)/t45-,46-,53-,55-,56+,57-,58-,59+,60-,61+,62-,63-,64-,65+,69-,70-,71-/m0/s1
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n/an/a 7.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Endothelin A receptor in rabbit renal artery vascular smooth muscle membrane (ET-A)


Bioorg Med Chem Lett 4: 567-572 (1994)


Article DOI: 10.1016/S0960-894X(01)80156-6
BindingDB Entry DOI: 10.7270/Q2TT4QW6
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50045258
PNG
((S)-2-[(S)-2-((R)-2-Acetylamino-3-phenyl-propionyl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C28H34N4O5/c1-4-17(2)25(32-26(34)23(30-18(3)33)14-19-10-6-5-7-11-19)27(35)31-24(28(36)37)15-20-16-29-22-13-9-8-12-21(20)22/h5-13,16-17,23-25,29H,4,14-15H2,1-3H3,(H,30,33)(H,31,35)(H,32,34)(H,36,37)/t17-,23+,24-,25-/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-ET-1 from Endothelin A receptor of rabbit renal artery vascular smooth muscle cells


Bioorg Med Chem Lett 3: 497-502 (1993)


Article DOI: 10.1016/S0960-894X(01)81215-4
BindingDB Entry DOI: 10.7270/Q2M908MP
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50366415
PNG
(CHEMBL1791280)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(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/C41H60N10O9/c1-8-22(5)34(39(57)49-32(41(59)60)15-25-18-44-28-13-11-10-12-27(25)28)51-40(58)35(23(6)9-2)50-38(56)31(17-33(42)53)48-36(54)29(14-21(3)4)47-37(55)30(46-24(7)52)16-26-19-43-20-45-26/h10-13,18-23,29-32,34-35,44H,8-9,14-17H2,1-7H3,(H2,42,53)(H,43,45)(H,46,52)(H,47,55)(H,48,54)(H,49,57)(H,50,56)(H,51,58)(H,59,60)/t22-,23-,29-,30-,31-,32-,34-,35-/m0/s1
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n/an/a 8.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-endothelin-3 [ET-3] binding to endothelin B receptor (ETB) of rat cerebellum


Bioorg Med Chem Lett 5: 967-972 (1995)


Article DOI: 10.1016/0960-894X(95)00152-J
BindingDB Entry DOI: 10.7270/Q2MG7PZH
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50000566
PNG
((S)-3-{(S)-2-[(R)-2-Acetylamino-3-(3H-imidazol-4-y...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cnc[nH]1)NC(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/C41H59N9O10/c1-8-22(5)34(39(57)48-32(41(59)60)15-25-18-43-28-13-11-10-12-27(25)28)50-40(58)35(23(6)9-2)49-38(56)31(17-33(52)53)47-36(54)29(14-21(3)4)46-37(55)30(45-24(7)51)16-26-19-42-20-44-26/h10-13,18-23,29-32,34-35,43H,8-9,14-17H2,1-7H3,(H,42,44)(H,45,51)(H,46,55)(H,47,54)(H,48,57)(H,49,56)(H,50,58)(H,52,53)(H,59,60)/t22-,23-,29-,30+,31-,32-,34-,35-/m0/s1
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n/an/a 8.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]endothelin-1 [ET-1] binding to endothelin A receptor (ETA) of rabbit renal artery vascular smooth muscle cells


Bioorg Med Chem Lett 5: 967-972 (1995)


Article DOI: 10.1016/0960-894X(95)00152-J
BindingDB Entry DOI: 10.7270/Q2MG7PZH
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50045251
PNG
(3-((R)-2-Acetylamino-3-phenyl-propionylamino)-N-{(...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C38H50N6O9/c1-6-21(3)32(36(50)42-30(38(52)53)18-25-20-39-27-16-12-11-15-26(25)27)44-37(51)33(22(4)7-2)43-35(49)29(19-31(46)47)41-34(48)28(40-23(5)45)17-24-13-9-8-10-14-24/h8-16,20-22,28-30,32-33,39H,6-7,17-19H2,1-5H3,(H,40,45)(H,41,48)(H,42,50)(H,43,49)(H,44,51)(H,46,47)(H,52,53)/t21-,22-,28+,29-,30-,32-,33-/m0/s1
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n/an/a 9.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-ET-1 from Endothelin A receptor of rabbit renal artery vascular smooth muscle cells


Bioorg Med Chem Lett 3: 497-502 (1993)


Article DOI: 10.1016/S0960-894X(01)81215-4
BindingDB Entry DOI: 10.7270/Q2M908MP
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50000566
PNG
((S)-3-{(S)-2-[(R)-2-Acetylamino-3-(3H-imidazol-4-y...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cnc[nH]1)NC(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/C41H59N9O10/c1-8-22(5)34(39(57)48-32(41(59)60)15-25-18-43-28-13-11-10-12-27(25)28)50-40(58)35(23(6)9-2)49-38(56)31(17-33(52)53)47-36(54)29(14-21(3)4)46-37(55)30(45-24(7)51)16-26-19-42-20-44-26/h10-13,18-23,29-32,34-35,43H,8-9,14-17H2,1-7H3,(H,42,44)(H,45,51)(H,46,55)(H,47,54)(H,48,57)(H,49,56)(H,50,58)(H,52,53)(H,59,60)/t22-,23-,29-,30+,31-,32-,34-,35-/m0/s1
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n/an/a 9.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-endothelin-3 [ET-3] binding to endothelin B receptor (ETB) of rat cerebellum


Bioorg Med Chem Lett 5: 967-972 (1995)


Article DOI: 10.1016/0960-894X(95)00152-J
BindingDB Entry DOI: 10.7270/Q2MG7PZH
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50045251
PNG
(3-((R)-2-Acetylamino-3-phenyl-propionylamino)-N-{(...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C38H50N6O9/c1-6-21(3)32(36(50)42-30(38(52)53)18-25-20-39-27-16-12-11-15-26(25)27)44-37(51)33(22(4)7-2)43-35(49)29(19-31(46)47)41-34(48)28(40-23(5)45)17-24-13-9-8-10-14-24/h8-16,20-22,28-30,32-33,39H,6-7,17-19H2,1-5H3,(H,40,45)(H,41,48)(H,42,50)(H,43,49)(H,44,51)(H,46,47)(H,52,53)/t21-,22-,28+,29-,30-,32-,33-/m0/s1
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n/an/a 9.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-ET-1 from Endothelin B receptor of rat cerebellum


Bioorg Med Chem Lett 3: 497-502 (1993)


Article DOI: 10.1016/S0960-894X(01)81215-4
BindingDB Entry DOI: 10.7270/Q2M908MP
More data for this
Ligand-Target Pair
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