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Compile Data Set for Download or QSAR

Found 1059 hits Enz. Inhib. hit(s) with Target = 'EDNRA' AND taxid = 10116   
Target
(Institution)
LigandTarget
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
EDNRA


(RAT)
BDBM50143784
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-2-butyl-7-[2-((...)
Show SMILES CCCCc1ccc2[C@@H]([C@H]([C@@H](c2n1)c1ccc(OC)cc1C[C@H](C)C(O)=O)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C31H33NO7/c1-4-5-6-20-8-10-23-26(18-7-12-24-25(15-18)39-16-38-24)28(31(35)36)27(29(23)32-20)22-11-9-21(37-3)14-19(22)13-17(2)30(33)34/h7-12,14-15,17,26-28H,4-6,13,16H2,1-3H3,(H,33,34)(H,35,36)/t17-,26-,27-,28+/m0/s1
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0.0340n/an/an/an/an/an/an/an/a



Encysive Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Endothelin A receptor


J Med Chem 47: 1969-86 (2004)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50000558
PNG
(CHEMBL437472 | ET-1 | Endothelin -1 | Endothelin 1...)
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]2CSSC[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC2=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/C109H159N25O32S5/c1-12-56(9)87(107(163)125-76(109(165)166)39-60-43-113-65-24-18-17-23-63(60)65)134-108(164)88(57(10)13-2)133-99(155)75(42-85(143)144)123-94(150)70(36-54(5)6)118-97(153)73(40-61-44-112-52-114-61)121-103(159)80-49-169-168-48-64(111)89(145)126-77(45-135)102(158)131-81-50-170-171-51-82(105(161)132-86(55(7)8)106(162)124-72(38-59-26-28-62(138)29-27-59)95(151)120-71(96(152)130-80)37-58-21-15-14-16-22-58)129-91(147)67(30-31-83(139)140)116-90(146)66(25-19-20-33-110)115-98(154)74(41-84(141)142)122-92(148)68(32-34-167-11)117-93(149)69(35-53(3)4)119-100(156)78(46-136)127-101(157)79(47-137)128-104(81)160/h14-18,21-24,26-29,43-44,52-57,64,66-82,86-88,113,135-138H,12-13,19-20,25,30-42,45-51,110-111H2,1-11H3,(H,112,114)(H,115,154)(H,116,146)(H,117,149)(H,118,153)(H,119,156)(H,120,151)(H,121,159)(H,122,148)(H,123,150)(H,124,162)(H,125,163)(H,126,145)(H,127,157)(H,128,160)(H,129,147)(H,130,152)(H,131,158)(H,132,161)(H,133,155)(H,134,164)(H,139,140)(H,141,142)(H,143,144)(H,165,166)/t56-,57-,64+,66-,67-,68-,69+,70-,71-,72+,73-,74+,75-,76-,77+,78-,79+,80-,81-,82+,86-,87-,88-/m0/s1
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0.0340n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to Endothelin A receptor in the rat atrium


J Med Chem 35: 1493-508 (1992)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50051007
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbam...)
Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1
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0.0340n/an/an/an/an/an/an/an/a



Encysive Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Endothelin A receptor


J Med Chem 47: 1969-86 (2004)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50051007
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbam...)
Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1
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0.0470n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
binding affinity against human Endothelin A receptor


J Med Chem 44: 3978-84 (2001)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50368606
PNG
(SARAFOTOXIN S6B | Sarafotoxin S6B)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@@H](CO)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C110H159N27O34S5/c1-9-55(6)88(108(168)130-77(110(170)171)40-59-45-116-64-22-14-13-21-62(59)64)136-107(167)87(54(4)5)135-102(162)76(44-86(148)149)128-93(153)67(29-31-82(114)141)121-99(159)73(41-60-46-115-52-117-60)126-106(166)81-49-174-173-48-63(113)90(150)131-78(47-138)103(163)134-79-50-175-176-51-80(105(165)123-70(37-53(2)3)96(156)124-72(39-58-25-27-61(140)28-26-58)97(157)125-71(98(158)133-81)38-57-19-11-10-12-20-57)132-94(154)68(30-32-83(142)143)120-91(151)65(23-15-17-34-111)118-101(161)75(43-85(146)147)129-109(169)89(56(7)139)137-95(155)69(33-36-172-8)122-100(160)74(42-84(144)145)127-92(152)66(119-104(79)164)24-16-18-35-112/h10-14,19-22,25-28,45-46,52-56,63,65-81,87-89,116,138-140H,9,15-18,23-24,29-44,47-51,111-113H2,1-8H3,(H2,114,141)(H,115,117)(H,118,161)(H,119,164)(H,120,151)(H,121,159)(H,122,160)(H,123,165)(H,124,156)(H,125,157)(H,126,166)(H,127,152)(H,128,153)(H,129,169)(H,130,168)(H,131,150)(H,132,154)(H,133,158)(H,134,163)(H,135,162)(H,136,167)(H,137,155)(H,142,143)(H,144,145)(H,146,147)(H,148,149)(H,170,171)/t55-,56+,63+,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,87-,88-,89-/m0/s1
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0.0870n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to Endothelin A receptor in the rat atrium


J Med Chem 35: 1493-508 (1992)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50368606
PNG
(SARAFOTOXIN S6B | Sarafotoxin S6B)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@@H](CO)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C110H159N27O34S5/c1-9-55(6)88(108(168)130-77(110(170)171)40-59-45-116-64-22-14-13-21-62(59)64)136-107(167)87(54(4)5)135-102(162)76(44-86(148)149)128-93(153)67(29-31-82(114)141)121-99(159)73(41-60-46-115-52-117-60)126-106(166)81-49-174-173-48-63(113)90(150)131-78(47-138)103(163)134-79-50-175-176-51-80(105(165)123-70(37-53(2)3)96(156)124-72(39-58-25-27-61(140)28-26-58)97(157)125-71(98(158)133-81)38-57-19-11-10-12-20-57)132-94(154)68(30-32-83(142)143)120-91(151)65(23-15-17-34-111)118-101(161)75(43-85(146)147)129-109(169)89(56(7)139)137-95(155)69(33-36-172-8)122-100(160)74(42-84(144)145)127-92(152)66(119-104(79)164)24-16-18-35-112/h10-14,19-22,25-28,45-46,52-56,63,65-81,87-89,116,138-140H,9,15-18,23-24,29-44,47-51,111-113H2,1-8H3,(H2,114,141)(H,115,117)(H,118,161)(H,119,164)(H,120,151)(H,121,159)(H,122,160)(H,123,165)(H,124,156)(H,125,157)(H,126,166)(H,127,152)(H,128,153)(H,129,169)(H,130,168)(H,131,150)(H,132,154)(H,133,158)(H,134,163)(H,135,162)(H,136,167)(H,137,155)(H,142,143)(H,144,145)(H,146,147)(H,148,149)(H,170,171)/t55-,56+,63+,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,87-,88-,89-/m0/s1
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0.0870n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to Endothelin A receptor in the rat atrium


J Med Chem 35: 1493-508 (1992)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50000558
PNG
(CHEMBL437472 | ET-1 | Endothelin -1 | Endothelin 1...)
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]2CSSC[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC2=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/C109H159N25O32S5/c1-12-56(9)87(107(163)125-76(109(165)166)39-60-43-113-65-24-18-17-23-63(60)65)134-108(164)88(57(10)13-2)133-99(155)75(42-85(143)144)123-94(150)70(36-54(5)6)118-97(153)73(40-61-44-112-52-114-61)121-103(159)80-49-169-168-48-64(111)89(145)126-77(45-135)102(158)131-81-50-170-171-51-82(105(161)132-86(55(7)8)106(162)124-72(38-59-26-28-62(138)29-27-59)95(151)120-71(96(152)130-80)37-58-21-15-14-16-22-58)129-91(147)67(30-31-83(139)140)116-90(146)66(25-19-20-33-110)115-98(154)74(41-84(141)142)122-92(148)68(32-34-167-11)117-93(149)69(35-53(3)4)119-100(156)78(46-136)127-101(157)79(47-137)128-104(81)160/h14-18,21-24,26-29,43-44,52-57,64,66-82,86-88,113,135-138H,12-13,19-20,25,30-42,45-51,110-111H2,1-11H3,(H,112,114)(H,115,154)(H,116,146)(H,117,149)(H,118,153)(H,119,156)(H,120,151)(H,121,159)(H,122,148)(H,123,150)(H,124,162)(H,125,163)(H,126,145)(H,127,157)(H,128,160)(H,129,147)(H,130,152)(H,131,158)(H,132,161)(H,133,155)(H,134,164)(H,139,140)(H,141,142)(H,143,144)(H,165,166)/t56-,57-,64+,66-,67-,68-,69+,70-,71-,72+,73-,74+,75-,76-,77+,78-,79+,80-,81-,82+,86-,87-,88-/m0/s1
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0.110n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to Endothelin A receptor in the rat aorta


J Med Chem 35: 1493-508 (1992)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50058126
PNG
(2-[2-(6-Methyl-benzo[1,3]dioxol-5-yl)-acetyl]-thio...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Cc2cc3OCOc3cc2C)c1Cl
Show InChI InChI=1S/C18H15ClN2O6S2/c1-9-5-13-14(26-8-25-13)7-11(9)6-12(22)17-15(3-4-28-17)29(23,24)21-18-16(19)10(2)20-27-18/h3-5,7,21H,6,8H2,1-2H3
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0.430n/an/an/an/an/an/an/an/a



Encysive Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Endothelin A receptor


J Med Chem 47: 1969-86 (2004)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50091105
PNG
(4''-Oxazol-2-yl-biphenyl-2-sulfonic acid (3,4-dime...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2ncco2)c1C
Show InChI InChI=1S/C20H17N3O4S/c1-13-14(2)22-27-19(13)23-28(24,25)18-6-4-3-5-17(18)15-7-9-16(10-8-15)20-21-11-12-26-20/h3-12,23H,1-2H3
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1.40n/an/an/an/an/an/an/an/a



Encysive Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Endothelin A receptor


J Med Chem 47: 1969-86 (2004)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50368607
PNG
(CHEMBL1790180)
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@@H](C)O)C(=O)N[C@H]2CSSC[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCc3ccc(O)cc3)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)[C@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)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/C122H170N26O33S4/c1-11-63(7)98(118(176)140-90(122(180)181)50-71-54-127-78-25-17-16-24-76(71)78)146-119(177)99(64(8)12-2)145-113(171)89(53-96(158)159)138-107(165)83(46-61(3)4)133-110(168)87(51-72-55-126-60-128-72)136-114(172)91-57-183-182-56-77(125)102(160)147-100(65(9)149)121(179)143-92-58-184-185-59-93(116(174)144-97(62(5)6)117(175)139-85(49-70-32-39-75(153)40-33-70)108(166)134-84(109(167)142-91)48-69-30-37-74(152)38-31-69)141-106(164)82(42-43-94(154)155)131-103(161)79(26-18-20-44-123)130-111(169)88(52-95(156)157)137-104(162)80(27-19-21-45-124)129-105(163)81(41-34-67-28-35-73(151)36-29-67)132-120(178)101(66(10)150)148-112(170)86(135-115(92)173)47-68-22-14-13-15-23-68/h13-17,22-25,28-33,35-40,54-55,60-66,77,79-93,97-101,127,149-153H,11-12,18-21,26-27,34,41-53,56-59,123-125H2,1-10H3,(H,126,128)(H,129,163)(H,130,169)(H,131,161)(H,132,178)(H,133,168)(H,134,166)(H,135,173)(H,136,172)(H,137,162)(H,138,165)(H,139,175)(H,140,176)(H,141,164)(H,142,167)(H,143,179)(H,144,174)(H,145,171)(H,146,177)(H,147,160)(H,148,170)(H,154,155)(H,156,157)(H,158,159)(H,180,181)/t63-,64-,65+,66-,77+,79-,80-,81+,82-,83-,84-,85+,86+,87-,88+,89-,90-,91-,92-,93+,97-,98-,99-,100+,101-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to Endothelin A receptor in the rat atrium


J Med Chem 35: 1493-508 (1992)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068673
PNG
(2'-Formylaminomethyl-4'-isobutyl-biphenyl-2-sulfon...)
Show SMILES CC(C)Cc1ccc(c(CNC=O)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C23H27N3O4S/c1-15(2)11-18-9-10-20(19(12-18)13-24-14-27)21-7-5-6-8-22(21)31(28,29)26-23-16(3)17(4)25-30-23/h5-10,12,14-15,26H,11,13H2,1-4H3,(H,24,27)
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50368607
PNG
(CHEMBL1790180)
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@@H](C)O)C(=O)N[C@H]2CSSC[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCc3ccc(O)cc3)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)[C@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)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/C122H170N26O33S4/c1-11-63(7)98(118(176)140-90(122(180)181)50-71-54-127-78-25-17-16-24-76(71)78)146-119(177)99(64(8)12-2)145-113(171)89(53-96(158)159)138-107(165)83(46-61(3)4)133-110(168)87(51-72-55-126-60-128-72)136-114(172)91-57-183-182-56-77(125)102(160)147-100(65(9)149)121(179)143-92-58-184-185-59-93(116(174)144-97(62(5)6)117(175)139-85(49-70-32-39-75(153)40-33-70)108(166)134-84(109(167)142-91)48-69-30-37-74(152)38-31-69)141-106(164)82(42-43-94(154)155)131-103(161)79(26-18-20-44-123)130-111(169)88(52-95(156)157)137-104(162)80(27-19-21-45-124)129-105(163)81(41-34-67-28-35-73(151)36-29-67)132-120(178)101(66(10)150)148-112(170)86(135-115(92)173)47-68-22-14-13-15-23-68/h13-17,22-25,28-33,35-40,54-55,60-66,77,79-93,97-101,127,149-153H,11-12,18-21,26-27,34,41-53,56-59,123-125H2,1-10H3,(H,126,128)(H,129,163)(H,130,169)(H,131,161)(H,132,178)(H,133,168)(H,134,166)(H,135,173)(H,136,172)(H,137,162)(H,138,165)(H,139,175)(H,140,176)(H,141,164)(H,142,167)(H,143,179)(H,144,174)(H,145,171)(H,146,177)(H,147,160)(H,148,170)(H,154,155)(H,156,157)(H,158,159)(H,180,181)/t63-,64-,65+,66-,77+,79-,80-,81+,82-,83-,84-,85+,86+,87-,88+,89-,90-,91-,92-,93+,97-,98-,99-,100+,101-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to Endothelin A receptor in the rat aorta


J Med Chem 35: 1493-508 (1992)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068706
PNG
(6-(2-Hydroxy-ethoxy)-4'-isobutyl-biphenyl-2-sulfon...)
Show SMILES CC(C)Cc1ccc(cc1)-c1c(OCCO)cccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C23H28N2O5S/c1-15(2)14-18-8-10-19(11-9-18)22-20(29-13-12-26)6-5-7-21(22)31(27,28)25-23-16(3)17(4)24-30-23/h5-11,15,25-26H,12-14H2,1-4H3
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2.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068674
PNG
(2'-Amino-4'-isobutyl-biphenyl-2-sulfonic acid (3,4...)
Show SMILES CC(C)Cc1ccc(c(N)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C21H25N3O3S/c1-13(2)11-16-9-10-17(19(22)12-16)18-7-5-6-8-20(18)28(25,26)24-21-14(3)15(4)23-27-21/h5-10,12-13,24H,11,22H2,1-4H3
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4.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068720
PNG
(6-Hydroxy-4'-isobutyl-biphenyl-2-sulfonic acid (3,...)
Show SMILES CC(C)Cc1ccc(cc1)-c1c(O)cccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C21H24N2O4S/c1-13(2)12-16-8-10-17(11-9-16)20-18(24)6-5-7-19(20)28(25,26)23-21-14(3)15(4)22-27-21/h5-11,13,23-24H,12H2,1-4H3
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5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068713
PNG
(4'-Isobutyl-2'-methyl-biphenyl-2-sulfonic acid (3,...)
Show SMILES CC(C)Cc1ccc(c(C)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C22H26N2O3S/c1-14(2)12-18-10-11-19(15(3)13-18)20-8-6-7-9-21(20)28(25,26)24-22-16(4)17(5)23-27-22/h6-11,13-14,24H,12H2,1-5H3
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5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50108202
PNG
((S)-2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-methoxy-...)
Show SMILES COc1cc(OC)nc(O[C@H](C(O)=O)C(OC)(c2ccccc2)c2ccccc2)n1
Show InChI InChI=1S/C22H22N2O6/c1-27-17-14-18(28-2)24-21(23-17)30-19(20(25)26)22(29-3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,19H,1-3H3,(H,25,26)/t19-/m1/s1
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6n/an/an/an/an/an/an/an/a



Encysive Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Endothelin A receptor


J Med Chem 47: 1969-86 (2004)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068740
PNG
(2'-Ethylamino-4'-isobutyl-biphenyl-2-sulfonic acid...)
Show SMILES CCNc1cc(CC(C)C)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C23H29N3O3S/c1-6-24-21-14-18(13-15(2)3)11-12-19(21)20-9-7-8-10-22(20)30(27,28)26-23-16(4)17(5)25-29-23/h7-12,14-15,24,26H,6,13H2,1-5H3
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6.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068697
PNG
(2'-(2-Hydroxy-ethylamino)-4'-isobutyl-biphenyl-2-s...)
Show SMILES CC(C)Cc1ccc(c(NCCO)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C23H29N3O4S/c1-15(2)13-18-9-10-19(21(14-18)24-11-12-27)20-7-5-6-8-22(20)31(28,29)26-23-16(3)17(4)25-30-23/h5-10,14-15,24,26-27H,11-13H2,1-4H3
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6.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50061101
PNG
(4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCO)-c1ncccn1
Show InChI InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)
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6.5n/an/an/an/an/an/an/an/a



Encysive Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Endothelin A receptor


J Med Chem 47: 1969-86 (2004)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068736
PNG
(2'-Hydroxy-4'-isobutyl-biphenyl-2-sulfonic acid (3...)
Show SMILES CC(C)Cc1ccc(c(O)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C21H24N2O4S/c1-13(2)11-16-9-10-17(19(24)12-16)18-7-5-6-8-20(18)28(25,26)23-21-14(3)15(4)22-27-21/h5-10,12-13,23-24H,11H2,1-4H3
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8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068685
PNG
(4'-Isobutyl-biphenyl-2-sulfonic acid (4,5-dimethyl...)
Show SMILES CC(C)Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1noc(C)c1C
Show InChI InChI=1S/C21H24N2O3S/c1-14(2)13-17-9-11-18(12-10-17)19-7-5-6-8-20(19)27(24,25)23-21-15(3)16(4)26-22-21/h5-12,14H,13H2,1-4H3,(H,22,23)
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13n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068704
PNG
(4'-Isobutyl-2'-methylamino-biphenyl-2-sulfonic aci...)
Show SMILES CNc1cc(CC(C)C)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C22H27N3O3S/c1-14(2)12-17-10-11-18(20(13-17)23-5)19-8-6-7-9-21(19)29(26,27)25-22-15(3)16(4)24-28-22/h6-11,13-14,23,25H,12H2,1-5H3
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14n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068722
PNG
(5-Amino-4'-isobutyl-biphenyl-2-sulfonic acid (3,4-...)
Show SMILES CC(C)Cc1ccc(cc1)-c1cc(N)ccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C21H25N3O3S/c1-13(2)11-16-5-7-17(8-6-16)19-12-18(22)9-10-20(19)28(25,26)24-21-14(3)15(4)23-27-21/h5-10,12-13,24H,11,22H2,1-4H3
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14n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068716
PNG
(2'-Amino-biphenyl-2-sulfonic acid (3,4-dimethyl-is...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccccc2N)c1C
Show InChI InChI=1S/C17H17N3O3S/c1-11-12(2)19-23-17(11)20-24(21,22)16-10-6-4-8-14(16)13-7-3-5-9-15(13)18/h3-10,20H,18H2,1-2H3
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16n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068719
PNG
(4'-Isobutyl-6-methoxy-biphenyl-2-sulfonic acid (3,...)
Show SMILES COc1cccc(c1-c1ccc(CC(C)C)cc1)S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C22H26N2O4S/c1-14(2)13-17-9-11-18(12-10-17)21-19(27-5)7-6-8-20(21)29(25,26)24-22-15(3)16(4)23-28-22/h6-12,14,24H,13H2,1-5H3
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16n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068676
PNG
(4'-Isopropoxy-biphenyl-2-sulfonic acid (3,4-dimeth...)
Show SMILES CC(C)Oc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C20H22N2O4S/c1-13(2)25-17-11-9-16(10-12-17)18-7-5-6-8-19(18)27(23,24)22-20-14(3)15(4)21-26-20/h5-13,22H,1-4H3
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17n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068717
PNG
(2'-Formylamino-4'-isobutyl-biphenyl-2-sulfonic aci...)
Show SMILES CC(C)Cc1ccc(c(NC=O)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C22H25N3O4S/c1-14(2)11-17-9-10-18(20(12-17)23-13-26)19-7-5-6-8-21(19)30(27,28)25-22-15(3)16(4)24-29-22/h5-10,12-14,25H,11H2,1-4H3,(H,23,26)
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17n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068742
PNG
(4'-Isobutyl-biphenyl-2-sulfonic acid (3,4-dimethyl...)
Show SMILES CC(C)Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C21H24N2O3S/c1-14(2)13-17-9-11-18(12-10-17)19-7-5-6-8-20(19)27(24,25)23-21-15(3)16(4)22-26-21/h5-12,14,23H,13H2,1-4H3
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18n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068729
PNG
(2'-Fluoro-4'-isobutyl-biphenyl-2-sulfonic acid (3,...)
Show SMILES CC(C)Cc1ccc(c(F)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C21H23FN2O3S/c1-13(2)11-16-9-10-17(19(22)12-16)18-7-5-6-8-20(18)28(25,26)24-21-14(3)15(4)23-27-21/h5-10,12-13,24H,11H2,1-4H3
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20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068698
PNG
(2'-Hydroxymethyl-4'-isobutyl-biphenyl-2-sulfonic a...)
Show SMILES CC(C)Cc1ccc(c(CO)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C22H26N2O4S/c1-14(2)11-17-9-10-19(18(12-17)13-25)20-7-5-6-8-21(20)29(26,27)24-22-15(3)16(4)23-28-22/h5-10,12,14,24-25H,11,13H2,1-4H3
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20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068694
PNG
(4'-Propyl-biphenyl-2-sulfonic acid (3,4-dimethyl-i...)
Show SMILES CCCc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C20H22N2O3S/c1-4-7-16-10-12-17(13-11-16)18-8-5-6-9-19(18)26(23,24)22-20-14(2)15(3)21-25-20/h5-6,8-13,22H,4,7H2,1-3H3
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28n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068677
PNG
(4'-Isobutyl-2'-propylamino-biphenyl-2-sulfonic aci...)
Show SMILES CCCNc1cc(CC(C)C)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C24H31N3O3S/c1-6-13-25-22-15-19(14-16(2)3)11-12-20(22)21-9-7-8-10-23(21)31(28,29)27-24-17(4)18(5)26-30-24/h7-12,15-16,25,27H,6,13-14H2,1-5H3
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29n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068686
PNG
(4'-Isobutoxy-biphenyl-2-sulfonic acid (3,4-dimethy...)
Show SMILES CC(C)COc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C21H24N2O4S/c1-14(2)13-26-18-11-9-17(10-12-18)19-7-5-6-8-20(19)28(24,25)23-21-15(3)16(4)22-27-21/h5-12,14,23H,13H2,1-4H3
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32n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068746
PNG
(4'-Methoxy-biphenyl-2-sulfonic acid (3,4-dimethyl-...)
Show SMILES COc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C18H18N2O4S/c1-12-13(2)19-24-18(12)20-25(21,22)17-7-5-4-6-16(17)14-8-10-15(23-3)11-9-14/h4-11,20H,1-3H3
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33n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068738
PNG
(4'-Isobutyl-2'-isopropylamino-biphenyl-2-sulfonic ...)
Show SMILES CC(C)Cc1ccc(c(NC(C)C)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C24H31N3O3S/c1-15(2)13-19-11-12-20(22(14-19)25-16(3)4)21-9-7-8-10-23(21)31(28,29)27-24-17(5)18(6)26-30-24/h7-12,14-16,25,27H,13H2,1-6H3
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34n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068735
PNG
(4'-Butyl-biphenyl-2-sulfonic acid (3,4-dimethyl-is...)
Show SMILES CCCCc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C21H24N2O3S/c1-4-5-8-17-11-13-18(14-12-17)19-9-6-7-10-20(19)27(24,25)23-21-15(2)16(3)22-26-21/h6-7,9-14,23H,4-5,8H2,1-3H3
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37n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068731
PNG
(4'-Isopropylsulfanyl-biphenyl-2-sulfonic acid (3,4...)
Show SMILES CC(C)Sc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C20H22N2O3S2/c1-13(2)26-17-11-9-16(10-12-17)18-7-5-6-8-19(18)27(23,24)22-20-14(3)15(4)21-25-20/h5-13,22H,1-4H3
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39n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
EDNRA


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



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068703
PNG
(2'-Hydroxymethyl-biphenyl-2-sulfonic acid (3,4-dim...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccccc2CO)c1C
Show InChI InChI=1S/C18H18N2O4S/c1-12-13(2)19-24-18(12)20-25(22,23)17-10-6-5-9-16(17)15-8-4-3-7-14(15)11-21/h3-10,20-21H,11H2,1-2H3
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40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068691
PNG
(CHEMBL149152 | Lithium; [6-(3,4-dimethyl-isoxazol-...)
Show SMILES CC(C)Cc1ccc(cc1)-c1c(OCC([O-])=O)cccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C23H26N2O6S/c1-14(2)12-17-8-10-18(11-9-17)22-19(30-13-21(26)27)6-5-7-20(22)32(28,29)25-23-15(3)16(4)24-31-23/h5-11,14,25H,12-13H2,1-4H3,(H,26,27)/p-1
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42n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068710
PNG
(4'-Isobutyl-2'-(3-methyl-ureido)-biphenyl-2-sulfon...)
Show SMILES CNC(=O)Nc1cc(CC(C)C)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C23H28N4O4S/c1-14(2)12-17-10-11-18(20(13-17)25-23(28)24-5)19-8-6-7-9-21(19)32(29,30)27-22-15(3)16(4)26-31-22/h6-11,13-14,27H,12H2,1-5H3,(H2,24,25,28)
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43n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068727
PNG
(4'-Isopropylamino-biphenyl-2-sulfonic acid (3,4-di...)
Show SMILES CC(C)Nc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C20H23N3O3S/c1-13(2)21-17-11-9-16(10-12-17)18-7-5-6-8-19(18)27(24,25)23-20-14(3)15(4)22-26-20/h5-13,21,23H,1-4H3
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50n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068705
PNG
(4'-Isopropyl-biphenyl-2-sulfonic acid (3,4-dimethy...)
Show SMILES CC(C)c1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C20H22N2O3S/c1-13(2)16-9-11-17(12-10-16)18-7-5-6-8-19(18)26(23,24)22-20-14(3)15(4)21-25-20/h5-13,22H,1-4H3
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50n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068682
PNG
(4'-Dimethylamino-biphenyl-2-sulfonic acid (3,4-dim...)
Show SMILES CN(C)c1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C19H21N3O3S/c1-13-14(2)20-25-19(13)21-26(23,24)18-8-6-5-7-17(18)15-9-11-16(12-10-15)22(3)4/h5-12,21H,1-4H3
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54n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068701
PNG
(4'-Methyl-biphenyl-2-sulfonic acid (3,4-dimethyl-i...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(C)cc2)c1C
Show InChI InChI=1S/C18H18N2O3S/c1-12-8-10-15(11-9-12)16-6-4-5-7-17(16)24(21,22)20-18-13(2)14(3)19-23-18/h4-11,20H,1-3H3
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55n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50034435
PNG
(5-Dimethylamino-naphthalene-1-sulfonic acid (3,4-d...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C17H19N3O3S/c1-11-12(2)18-23-17(11)19-24(21,22)16-10-6-7-13-14(16)8-5-9-15(13)20(3)4/h5-10,19H,1-4H3
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55n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068683
PNG
(4'-(Isopropyl-methyl-amino)-biphenyl-2-sulfonic ac...)
Show SMILES CC(C)N(C)c1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C21H25N3O3S/c1-14(2)24(5)18-12-10-17(11-13-18)19-8-6-7-9-20(19)28(25,26)23-21-15(3)16(4)22-27-21/h6-14,23H,1-5H3
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60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068687
PNG
(4'-tert-Butyl-biphenyl-2-sulfonic acid (3,4-dimeth...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)C(C)(C)C)c1C
Show InChI InChI=1S/C21H24N2O3S/c1-14-15(2)22-26-20(14)23-27(24,25)19-9-7-6-8-18(19)16-10-12-17(13-11-16)21(3,4)5/h6-13,23H,1-5H3
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61n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068680
PNG
(3'-Amino-biphenyl-2-sulfonic acid (3,4-dimethyl-is...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2cccc(N)c2)c1C
Show InChI InChI=1S/C17H17N3O3S/c1-11-12(2)19-23-17(11)20-24(21,22)16-9-4-3-8-15(16)13-6-5-7-14(18)10-13/h3-10,20H,18H2,1-2H3
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62n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)

More data for this
Ligand-Target Pair
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