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Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for entry = 50029385   
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
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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n/an/a 60n/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)
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)
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
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
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)
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
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
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
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
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
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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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))
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
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
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
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))
BDBM50284013
PNG
(CHEMBL409777 | 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](CC(C)C)C(=O)N[C@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)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/C77H119N19O24S3/c1-10-39(7)61(75(117)91-54(77(119)120)26-41-30-81-45-17-13-12-16-43(41)45)96-76(118)62(40(8)11-2)95-71(113)53(29-60(103)104)90-68(110)50(25-38(5)6)86-69(111)51(27-42-31-80-36-82-42)88-74(116)57-35-123-122-34-44(79)63(105)92-55(32-97)73(115)93-56(33-98)72(114)87-49(24-37(3)4)67(109)85-48(21-23-121-9)66(108)89-52(28-59(101)102)70(112)83-46(18-14-15-22-78)64(106)84-47(65(107)94-57)19-20-58(99)100/h12-13,16-17,30-31,36-40,44,46-57,61-62,81,97-98H,10-11,14-15,18-29,32-35,78-79H2,1-9H3,(H,80,82)(H,83,112)(H,84,106)(H,85,109)(H,86,111)(H,87,114)(H,88,116)(H,89,108)(H,90,110)(H,91,117)(H,92,105)(H,93,115)(H,94,107)(H,95,113)(H,96,118)(H,99,100)(H,101,102)(H,103,104)(H,119,120)/t39-,40-,44-,46+,47-,48+,49-,50-,51-,52-,53-,54-,55-,56+,57+,61-,62-/m0/s1
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n/an/a>1.00E+4n/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)
BDBM50284013
PNG
(CHEMBL409777 | 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](CC(C)C)C(=O)N[C@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)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/C77H119N19O24S3/c1-10-39(7)61(75(117)91-54(77(119)120)26-41-30-81-45-17-13-12-16-43(41)45)96-76(118)62(40(8)11-2)95-71(113)53(29-60(103)104)90-68(110)50(25-38(5)6)86-69(111)51(27-42-31-80-36-82-42)88-74(116)57-35-123-122-34-44(79)63(105)92-55(32-97)73(115)93-56(33-98)72(114)87-49(24-37(3)4)67(109)85-48(21-23-121-9)66(108)89-52(28-59(101)102)70(112)83-46(18-14-15-22-78)64(106)84-47(65(107)94-57)19-20-58(99)100/h12-13,16-17,30-31,36-40,44,46-57,61-62,81,97-98H,10-11,14-15,18-29,32-35,78-79H2,1-9H3,(H,80,82)(H,83,112)(H,84,106)(H,85,109)(H,86,111)(H,87,114)(H,88,116)(H,89,108)(H,90,110)(H,91,117)(H,92,105)(H,93,115)(H,94,107)(H,95,113)(H,96,118)(H,99,100)(H,101,102)(H,103,104)(H,119,120)/t39-,40-,44-,46+,47-,48+,49-,50-,51-,52-,53-,54-,55-,56+,57+,61-,62-/m0/s1
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n/an/a>1.00E+4n/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
EDNRA


(RAT)
BDBM50284013
PNG
(CHEMBL409777 | 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](CC(C)C)C(=O)N[C@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)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/C77H119N19O24S3/c1-10-39(7)61(75(117)91-54(77(119)120)26-41-30-81-45-17-13-12-16-43(41)45)96-76(118)62(40(8)11-2)95-71(113)53(29-60(103)104)90-68(110)50(25-38(5)6)86-69(111)51(27-42-31-80-36-82-42)88-74(116)57-35-123-122-34-44(79)63(105)92-55(32-97)73(115)93-56(33-98)72(114)87-49(24-37(3)4)67(109)85-48(21-23-121-9)66(108)89-52(28-59(101)102)70(112)83-46(18-14-15-22-78)64(106)84-47(65(107)94-57)19-20-58(99)100/h12-13,16-17,30-31,36-40,44,46-57,61-62,81,97-98H,10-11,14-15,18-29,32-35,78-79H2,1-9H3,(H,80,82)(H,83,112)(H,84,106)(H,85,109)(H,86,111)(H,87,114)(H,88,116)(H,89,108)(H,90,110)(H,91,117)(H,92,105)(H,93,115)(H,94,107)(H,95,113)(H,96,118)(H,99,100)(H,101,102)(H,103,104)(H,119,120)/t39-,40-,44-,46+,47-,48+,49-,50-,51-,52-,53-,54-,55-,56+,57+,61-,62-/m0/s1
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n/an/a 4.90E+4n/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