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Compile Data Set for Download or QSAR

Found 373 hits Enz. Inhib. hit(s) with Target = 'EDNRB' 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
EDNRB


(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
PDB

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0.0100n/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 B receptor in the rat hippocampus


J Med Chem 35: 1493-508 (1992)

More data for this
Ligand-Target Pair
EDNRB


(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
PDB

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0.0130n/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 B receptor in the rat cerebellum


J Med Chem 35: 1493-508 (1992)

More data for this
Ligand-Target Pair
EDNRB


(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
PDB

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0.0130n/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 B receptor in the rat cerebellum


J Med Chem 35: 1493-508 (1992)

More data for this
Ligand-Target Pair
EDNRB


(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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0.0150n/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 B receptor in the rat cerebellum


J Med Chem 35: 1493-508 (1992)

More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50368605
PNG
(CHEMBL1790178)
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]([C@@H](C)O)C(=O)N[C@H]2CSSC[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)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](CC(N)=O)NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(N)=O)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/C103H147N27O37S5/c1-10-46(6)80(100(163)123-67(103(166)167)30-50-37-109-54-19-15-14-18-52(50)54)128-99(162)79(45(4)5)127-95(158)66(36-78(144)145)120-85(148)55(20-23-71(105)133)112-90(153)61(31-51-38-108-43-110-51)117-97(160)69-40-170-169-39-53(104)83(146)129-81(47(7)131)102(165)126-70-42-172-171-41-68(96(159)115-59(28-44(2)3)88(151)118-62(32-72(106)134)91(154)116-60(89(152)125-69)29-49-16-12-11-13-17-49)124-86(149)57(22-25-75(138)139)111-84(147)56(21-24-74(136)137)113-94(157)65(35-77(142)143)122-101(164)82(48(8)132)130-87(150)58(26-27-168-9)114-93(156)64(34-76(140)141)121-92(155)63(33-73(107)135)119-98(70)161/h11-19,37-38,43-48,53,55-70,79-82,109,131-132H,10,20-36,39-42,104H2,1-9H3,(H2,105,133)(H2,106,134)(H2,107,135)(H,108,110)(H,111,147)(H,112,153)(H,113,157)(H,114,156)(H,115,159)(H,116,154)(H,117,160)(H,118,151)(H,119,161)(H,120,148)(H,121,155)(H,122,164)(H,123,163)(H,124,149)(H,125,152)(H,126,165)(H,127,158)(H,128,162)(H,129,146)(H,130,150)(H,136,137)(H,138,139)(H,140,141)(H,142,143)(H,144,145)(H,166,167)/t46-,47+,48+,53+,55-,56-,57-,58+,59-,60-,61-,62+,63+,64-,65+,66-,67-,68+,69-,70-,79-,80-,81+,82-/m0/s1
PDB

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UniChem

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PubMed
0.0160n/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 B receptor in the rat cerebellum


J Med Chem 35: 1493-508 (1992)

More data for this
Ligand-Target Pair
EDNRB


(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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0.0210n/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 B receptor in the rat cerebellum


J Med Chem 35: 1493-508 (1992)

More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50368605
PNG
(CHEMBL1790178)
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]([C@@H](C)O)C(=O)N[C@H]2CSSC[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)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](CC(N)=O)NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(N)=O)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/C103H147N27O37S5/c1-10-46(6)80(100(163)123-67(103(166)167)30-50-37-109-54-19-15-14-18-52(50)54)128-99(162)79(45(4)5)127-95(158)66(36-78(144)145)120-85(148)55(20-23-71(105)133)112-90(153)61(31-51-38-108-43-110-51)117-97(160)69-40-170-169-39-53(104)83(146)129-81(47(7)131)102(165)126-70-42-172-171-41-68(96(159)115-59(28-44(2)3)88(151)118-62(32-72(106)134)91(154)116-60(89(152)125-69)29-49-16-12-11-13-17-49)124-86(149)57(22-25-75(138)139)111-84(147)56(21-24-74(136)137)113-94(157)65(35-77(142)143)122-101(164)82(48(8)132)130-87(150)58(26-27-168-9)114-93(156)64(34-76(140)141)121-92(155)63(33-73(107)135)119-98(70)161/h11-19,37-38,43-48,53,55-70,79-82,109,131-132H,10,20-36,39-42,104H2,1-9H3,(H2,105,133)(H2,106,134)(H2,107,135)(H,108,110)(H,111,147)(H,112,153)(H,113,157)(H,114,156)(H,115,159)(H,116,154)(H,117,160)(H,118,151)(H,119,161)(H,120,148)(H,121,155)(H,122,164)(H,123,163)(H,124,149)(H,125,152)(H,126,165)(H,127,158)(H,128,162)(H,129,146)(H,130,150)(H,136,137)(H,138,139)(H,140,141)(H,142,143)(H,144,145)(H,166,167)/t46-,47+,48+,53+,55-,56-,57-,58+,59-,60-,61-,62+,63+,64-,65+,66-,67-,68+,69-,70-,79-,80-,81+,82-/m0/s1
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0.0230n/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 B receptor in the rat hippocampus


J Med Chem 35: 1493-508 (1992)

More data for this
Ligand-Target Pair
EDNRB


(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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0.0360n/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 B receptor in the rat hippocampus


J Med Chem 35: 1493-508 (1992)

More data for this
Ligand-Target Pair
EDNRB


(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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940n/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]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor)


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


(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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1.20E+3n/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]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor)


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


(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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1.30E+3n/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]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor)


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


(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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1.40E+3n/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]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor)


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


(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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1.50E+3n/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]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor)


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


(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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1.60E+3n/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]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor)


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


(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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1.70E+3n/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]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor)


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


(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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1.70E+3n/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]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor)


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


(RAT)
BDBM50068670
PNG
(CHEMBL358461 | [6-(3,4-Dimethyl-isoxazol-5-ylsulfa...)
Show SMILES CC(C)Cc1ccc(cc1)-c1cc(NCC(O)=O)ccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C23H27N3O5S/c1-14(2)11-17-5-7-18(8-6-17)20-12-19(24-13-22(27)28)9-10-21(20)32(29,30)26-23-15(3)16(4)25-31-23/h5-10,12,14,24,26H,11,13H2,1-4H3,(H,27,28)
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1.90E+3n/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]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor)


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


(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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1.90E+3n/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]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor)


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


(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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2.00E+3n/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]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor)


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


(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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2.00E+3n/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]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor)


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


(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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2.10E+3n/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]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor)


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


(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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2.20E+3n/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]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor)


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


(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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2.30E+3n/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]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor)


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


(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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2.80E+3n/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]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor)


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


(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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2.90E+3n/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]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor)


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


(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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3.70E+3n/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]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor)


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


(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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4.00E+3n/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]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor)


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


(RAT)
BDBM50068695
PNG
(4'-(2,2-Dimethyl-propyl)-biphenyl-2-sulfonic acid ...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(CC(C)(C)C)cc2)c1C
Show InChI InChI=1S/C22H26N2O3S/c1-15-16(2)23-27-21(15)24-28(25,26)20-9-7-6-8-19(20)18-12-10-17(11-13-18)14-22(3,4)5/h6-13,24H,14H2,1-5H3
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4.10E+3n/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]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor)


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


(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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5.40E+3n/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]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor)


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


(RAT)
BDBM50068678
PNG
(3'-Isobutyl-biphenyl-2-sulfonic acid (3,4-dimethyl...)
Show SMILES CC(C)Cc1cccc(c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C21H24N2O3S/c1-14(2)12-17-8-7-9-18(13-17)19-10-5-6-11-20(19)27(24,25)23-21-15(3)16(4)22-26-21/h5-11,13-14,23H,12H2,1-4H3
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5.60E+3n/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]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor)


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


(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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5.70E+3n/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]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor)


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


(RAT)
BDBM50286238
PNG
(CHEMBL314364 | {8-[(1H-Indole-2-carbonyl)-amino]-1...)
Show SMILES CCCN1c2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2N(CC(O)=O)C(=O)c2ccccc12
Show InChI InChI=1S/C27H24N4O4/c1-2-13-30-22-10-6-4-8-19(22)27(35)31(16-25(32)33)24-15-18(11-12-23(24)30)28-26(34)21-14-17-7-3-5-9-20(17)29-21/h3-12,14-15,29H,2,13,16H2,1H3,(H,28,34)(H,32,33)
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6.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Affinity against ET B receptor


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


(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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6.00E+3n/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]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor)


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


(RAT)
BDBM50068711
PNG
(4'-Isobutyl-5-methoxy-biphenyl-2-sulfonic acid (3,...)
Show SMILES COc1ccc(c(c1)-c1ccc(CC(C)C)cc1)S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C22H26N2O4S/c1-14(2)12-17-6-8-18(9-7-17)20-13-19(27-5)10-11-21(20)29(25,26)24-22-15(3)16(4)23-28-22/h6-11,13-14,24H,12H2,1-5H3
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6.20E+3n/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]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor)


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


(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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6.90E+3n/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]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor)


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


(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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7.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Affinity against ET B receptor


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


(RAT)
BDBM50286234
PNG
(CHEMBL86489 | [8-(2-1H-Indol-3-yl-acetylamino)-11-...)
Show SMILES CCCN1c2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2N(CC(O)=O)C(=O)c2ccccc12
Show InChI InChI=1S/C28H26N4O4/c1-2-13-31-23-10-6-4-8-21(23)28(36)32(17-27(34)35)25-15-19(11-12-24(25)31)30-26(33)14-18-16-29-22-9-5-3-7-20(18)22/h3-12,15-16,29H,2,13-14,17H2,1H3,(H,30,33)(H,34,35)
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7.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Affinity against ET B receptor


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


(RAT)
BDBM50068684
PNG
(2-Amino-N-[6-(3,4-dimethyl-isoxazol-5-ylsulfamoyl)...)
Show SMILES CC(C)Cc1ccc(cc1)-c1cc(NC(=O)CN)ccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C23H28N4O4S/c1-14(2)11-17-5-7-18(8-6-17)20-12-19(25-22(28)13-24)9-10-21(20)32(29,30)27-23-15(3)16(4)26-31-23/h5-10,12,14,27H,11,13,24H2,1-4H3,(H,25,28)
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7.40E+3n/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]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor)


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


(RAT)
BDBM50286243
PNG
(CHEMBL421349 | [8-(Naphthalen-1-ylmethoxy)-11-oxo-...)
Show SMILES OC(=O)CN1c2cc(OCc3cccc4ccccc34)ccc2Nc2ccccc2C1=O
Show InChI InChI=1S/C26H20N2O4/c29-25(30)15-28-24-14-19(32-16-18-8-5-7-17-6-1-2-9-20(17)18)12-13-23(24)27-22-11-4-3-10-21(22)26(28)31/h1-14,27H,15-16H2,(H,29,30)
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8.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Affinity against ET B receptor


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


(RAT)
BDBM50068681
PNG
(4'-Benzyloxy-biphenyl-2-sulfonic acid (3,4-dimethy...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(OCc3ccccc3)cc2)c1C
Show InChI InChI=1S/C24H22N2O4S/c1-17-18(2)25-30-24(17)26-31(27,28)23-11-7-6-10-22(23)20-12-14-21(15-13-20)29-16-19-8-4-3-5-9-19/h3-15,26H,16H2,1-2H3
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8.40E+3n/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]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor)


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


(RAT)
BDBM50286240
PNG
(CHEMBL314915 | {8-[(Naphthalen-1-ylmethyl)-amino]-...)
Show SMILES CCCN1c2ccc(NCc3cccc4ccccc34)cc2N(CC(O)=O)C(=O)c2ccccc12
Show InChI InChI=1S/C29H27N3O3/c1-2-16-31-25-13-6-5-12-24(25)29(35)32(19-28(33)34)27-17-22(14-15-26(27)31)30-18-21-10-7-9-20-8-3-4-11-23(20)21/h3-15,17,30H,2,16,18-19H2,1H3,(H,33,34)
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9.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Affinity against ET B receptor


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


(RAT)
BDBM50068690
PNG
(2'-Aminomethyl-4'-isobutyl-biphenyl-2-sulfonic aci...)
Show SMILES CC(C)Cc1ccc(c(CN)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C22H27N3O3S/c1-14(2)11-17-9-10-19(18(12-17)13-23)20-7-5-6-8-21(20)29(26,27)25-22-15(3)16(4)24-28-22/h5-10,12,14,25H,11,13,23H2,1-4H3
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9.60E+3n/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]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor)


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


(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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9.80E+3n/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]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor)


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


(RAT)
BDBM50068721
PNG
(CHEMBL150269 | N-[6-(3,4-Dimethyl-isoxazol-5-ylsul...)
Show SMILES CC(C)Cc1ccc(cc1)-c1cc(NC(C)=O)ccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C23H27N3O4S/c1-14(2)12-18-6-8-19(9-7-18)21-13-20(24-17(5)27)10-11-22(21)31(28,29)26-23-15(3)16(4)25-30-23/h6-11,13-14,26H,12H2,1-5H3,(H,24,27)
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9.80E+3n/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]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor)


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


(RAT)
BDBM50094703
PNG
(5-(3-Bromo-phenyl)-7-(6-morpholin-4-yl-pyridin-3-y...)
Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C22H19BrN6O/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H2,24,26,27,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1156-64 (2000)

More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50133817
PNG
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Pudue Pharma Discovery Research

Curated by PDSP Ki Database




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


(RAT)
BDBM50286242
PNG
(CHEMBL315096 | {8-[(1H-Indole-3-carbonyl)-amino]-1...)
Show SMILES CCCN1c2ccc(NC(=O)c3c[nH]c4ccccc34)cc2N(CC(O)=O)C(=O)c2ccccc12
Show InChI InChI=1S/C27H24N4O4/c1-2-13-30-22-10-6-4-8-19(22)27(35)31(16-25(32)33)24-14-17(11-12-23(24)30)29-26(34)20-15-28-21-9-5-3-7-18(20)21/h3-12,14-15,28H,2,13,16H2,1H3,(H,29,34)(H,32,33)
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1.10E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Affinity against ET B receptor


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


(RAT)
BDBM50068688
PNG
(CHEMBL357823 | [2'-(3,4-Dimethyl-isoxazol-5-ylsulf...)
Show SMILES CC(C)Cc1ccc(c(NCC(O)=O)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C23H27N3O5S/c1-14(2)11-17-9-10-18(20(12-17)24-13-22(27)28)19-7-5-6-8-21(19)32(29,30)26-23-15(3)16(4)25-31-23/h5-10,12,14,24,26H,11,13H2,1-4H3,(H,27,28)
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1.20E+4n/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]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor)


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


(RAT)
BDBM50286235
PNG
(CHEMBL313184 | [8-(1H-Indol-3-ylmethyl)-11-oxo-5-p...)
Show SMILES CCCN1c2ccc(Cc3c[nH]c4ccccc34)cc2N(CC(O)=O)C(=O)c2ccccc12
Show InChI InChI=1S/C27H25N3O3/c1-2-13-29-23-10-6-4-8-21(23)27(33)30(17-26(31)32)25-15-18(11-12-24(25)29)14-19-16-28-22-9-5-3-7-20(19)22/h3-12,15-16,28H,2,13-14,17H2,1H3,(H,31,32)
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1.20E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Affinity against ET B receptor


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


(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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1.20E+4n/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]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor)


Citation and Details
More data for this
Ligand-Target Pair
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