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Compile Data Set for Download or QSAR

Found 1128 hits of ic50 for UniProtKB: P24530   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
EDNRB


(Homo sapiens (Human))
BDBM50197953
PNG
(CHEMBL3980643)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](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@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
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n/an/a 0.100n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant ETB receptor expressed in CHOK1 cells assessed as induction of Ca2+ mobilization by fluorimetric method


Eur J Med Chem 121: 658-670 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.006
BindingDB Entry DOI: 10.7270/Q2T155MF
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50061086
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-{2-[(3-chloro...)
Show SMILES CCCN(CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)c(F)c1)C(O)=O)c1ccc2OCOc2c1)S(=O)(=O)CCCCl
Show InChI InChI=1S/C27H34ClFN2O7S/c1-3-10-31(39(34,35)13-4-9-28)12-11-30-16-20(18-5-8-23-24(15-18)38-17-37-23)25(27(32)33)26(30)19-6-7-22(36-2)21(29)14-19/h5-8,14-15,20,25-26H,3-4,9-13,16-17H2,1-2H3,(H,32,33)/t20-,25-,26+/m1/s1
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n/an/a 0.140n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding assay performed using human Endothelin B receptor (hETB) expressed in chinese hamster ovary cells(CHO)


J Med Chem 40: 3217-27 (1997)


Article DOI: 10.1021/jm970101g
BindingDB Entry DOI: 10.7270/Q2C24VJR
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50061078
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(3-fluoro-4-m...)
Show SMILES CCCN(CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)c(F)c1)C(O)=O)c1ccc2OCOc2c1)S(=O)(=O)CCCC(F)(F)F
Show InChI InChI=1S/C28H34F4N2O7S/c1-3-10-34(42(37,38)13-4-9-28(30,31)32)12-11-33-16-20(18-5-8-23-24(15-18)41-17-40-23)25(27(35)36)26(33)19-6-7-22(39-2)21(29)14-19/h5-8,14-15,20,25-26H,3-4,9-13,16-17H2,1-2H3,(H,35,36)/t20-,25-,26+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding assay performed using human Endothelin B receptor (hETB) expressed in chinese hamster ovary cells(CHO)


J Med Chem 40: 3217-27 (1997)


Article DOI: 10.1021/jm970101g
BindingDB Entry DOI: 10.7270/Q2C24VJR
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
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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n/an/a 0.200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Receptor binding affinity was determined against [125I]ET1 with membranes prepared from human placenta for ETB receptor


Bioorg Med Chem Lett 7: 2223-2228 (1997)


Article DOI: 10.1016/S0960-894X(97)00400-9
BindingDB Entry DOI: 10.7270/Q2WQ049M
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50395673
PNG
(CHEMBL2165327)
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 |r|
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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n/an/a 0.208n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [I125]ET1 from recombinant ETB receptor expressed in CHO cells after 2 hrs by TopCount analysis


J Med Chem 55: 7849-61 (2012)


Article DOI: 10.1021/jm3009103
BindingDB Entry DOI: 10.7270/Q21C1XZT
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50080592
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCc1cccc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C31H34N2O6/c1-4-19-7-6-8-20(5-2)29(19)32-27(34)17-33-16-24(22-11-14-25-26(15-22)39-18-38-25)28(31(35)36)30(33)21-9-12-23(37-3)13-10-21/h6-15,24,28,30H,4-5,16-18H2,1-3H3,(H,32,34)(H,35,36)/t24-,28-,30+/m1/s1
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n/an/a 0.270n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50061074
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(3-fluoro-4-m...)
Show SMILES CCCCCS(=O)(=O)N(CCC)CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)c(F)c1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H39FN2O7S/c1-4-6-7-15-40(35,36)32(12-5-2)14-13-31-18-22(20-8-11-25-26(17-20)39-19-38-25)27(29(33)34)28(31)21-9-10-24(37-3)23(30)16-21/h8-11,16-17,22,27-28H,4-7,12-15,18-19H2,1-3H3,(H,33,34)/t22-,27-,28+/m1/s1
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n/an/a 0.280n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding assay performed using human Endothelin B receptor (hETB) expressed in chinese hamster ovary cells(CHO)


J Med Chem 40: 3217-27 (1997)


Article DOI: 10.1021/jm970101g
BindingDB Entry DOI: 10.7270/Q2C24VJR
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50197955
PNG
(CHEMBL1515091)
Show SMILES [Na+].CCCC[C@@H](NC(=O)[C@@H](Cc1cn(C(=O)OC)c2ccccc12)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C([O-])=O
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n/an/a 0.410n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Antagonist activity at ETB receptor in human BSMC assessed as inhibition of endothelin-1 or 3-mediated Ca2+ mobilization preincubated for 5 mins foll...


Eur J Med Chem 121: 658-670 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.006
BindingDB Entry DOI: 10.7270/Q2T155MF
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50061096
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-{2-[(butane-1...)
Show SMILES CCCCS(=O)(=O)N(CCC)CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)c(F)c1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C28H37FN2O7S/c1-4-6-14-39(34,35)31(11-5-2)13-12-30-17-21(19-7-10-24-25(16-19)38-18-37-24)26(28(32)33)27(30)20-8-9-23(36-3)22(29)15-20/h7-10,15-16,21,26-27H,4-6,11-14,17-18H2,1-3H3,(H,32,33)/t21-,26-,27+/m1/s1
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n/an/a 0.470n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding assay performed using human Endothelin B receptor (hETB) expressed in chinese hamster ovary cells(CHO)


J Med Chem 40: 3217-27 (1997)


Article DOI: 10.1021/jm970101g
BindingDB Entry DOI: 10.7270/Q2C24VJR
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50061085
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(3-fluoro-4-m...)
Show SMILES CCCCCCS(=O)(=O)N(CCC)CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)c(F)c1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C30H41FN2O7S/c1-4-6-7-8-16-41(36,37)33(13-5-2)15-14-32-19-23(21-9-12-26-27(18-21)40-20-39-26)28(30(34)35)29(32)22-10-11-25(38-3)24(31)17-22/h9-12,17-18,23,28-29H,4-8,13-16,19-20H2,1-3H3,(H,34,35)/t23-,28-,29+/m1/s1
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n/an/a 0.480n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding assay performed using human Endothelin B receptor (hETB) expressed in chinese hamster ovary cells(CHO)


J Med Chem 40: 3217-27 (1997)


Article DOI: 10.1021/jm970101g
BindingDB Entry DOI: 10.7270/Q2C24VJR
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50061096
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-{2-[(butane-1...)
Show SMILES CCCCS(=O)(=O)N(CCC)CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)c(F)c1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C28H37FN2O7S/c1-4-6-14-39(34,35)31(11-5-2)13-12-30-17-21(19-7-10-24-25(16-19)38-18-37-24)26(28(32)33)27(30)20-8-9-23(36-3)22(29)15-20/h7-10,15-16,21,26-27H,4-6,11-14,17-18H2,1-3H3,(H,32,33)/t21-,26-,27+/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability of the compound to block the ET-1-induced hydrolysis of inositol phosphate in Endothelin B receptor of chinese hamster ovary(CHO) cells.


J Med Chem 40: 3217-27 (1997)


Article DOI: 10.1021/jm970101g
BindingDB Entry DOI: 10.7270/Q2C24VJR
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50080623
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,2-dimethy...)
Show SMILES CC(C)OCCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1)C(C)(C)C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C36H44N2O7/c1-23(2)42-17-18-43-27-14-11-24(12-15-27)33-32(35(40)41)28(26-13-16-29-30(19-26)45-22-44-29)20-38(33)21-31(39)37-34(36(3,4)5)25-9-7-6-8-10-25/h6-16,19,23,28,32-34H,17-18,20-22H2,1-5H3,(H,37,39)(H,40,41)/t28-,32-,33+,34?/m1/s1
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n/an/a 0.710n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor


J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50080589
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCc1cc(F)cc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C31H33FN2O6/c1-4-18-12-22(32)13-19(5-2)29(18)33-27(35)16-34-15-24(21-8-11-25-26(14-21)40-17-39-25)28(31(36)37)30(34)20-6-9-23(38-3)10-7-20/h6-14,24,28,30H,4-5,15-17H2,1-3H3,(H,33,35)(H,36,37)/t24-,28-,30+/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50284769
PNG
((S)-2-((R)-3-(2-Bromo-1H-indol-3-yl)-2-{(S)-2-cycl...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)N1[C@@H](C)CCC[C@H]1C)C1CC1)C(O)=O
Show InChI InChI=1S/C30H42BrN5O5/c1-4-5-12-23(29(39)40)33-27(37)24(16-21-20-11-6-7-13-22(20)32-26(21)31)34-28(38)25(19-14-15-19)35-30(41)36-17(2)9-8-10-18(36)3/h6-7,11,13,17-19,23-25,32H,4-5,8-10,12,14-16H2,1-3H3,(H,33,37)(H,34,38)(H,35,41)(H,39,40)/t17-,18+,23-,24+,25-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Functional inhibition of ET-1 induced [Ca2+] increase in human Girardi heart (hGH) cells, which express Endothelin B receptor


Bioorg Med Chem Lett 5: 1483-1488 (1995)


Article DOI: 10.1016/0960-894X(95)00237-N
BindingDB Entry DOI: 10.7270/Q27D2VM3
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50061086
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-{2-[(3-chloro...)
Show SMILES CCCN(CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)c(F)c1)C(O)=O)c1ccc2OCOc2c1)S(=O)(=O)CCCCl
Show InChI InChI=1S/C27H34ClFN2O7S/c1-3-10-31(39(34,35)13-4-9-28)12-11-30-16-20(18-5-8-23-24(15-18)38-17-37-23)25(27(32)33)26(30)19-6-7-22(36-2)21(29)14-19/h5-8,14-15,20,25-26H,3-4,9-13,16-17H2,1-2H3,(H,32,33)/t20-,25-,26+/m1/s1
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n/an/a 0.830n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability of the compound to block the ET-1-induced hydrolysis of inositol phosphate in Endothelin B receptor of chinese hamster ovary(CHO) cells.


J Med Chem 40: 3217-27 (1997)


Article DOI: 10.1021/jm970101g
BindingDB Entry DOI: 10.7270/Q2C24VJR
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50080597
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCc1cccc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OCCOC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C33H38N2O7/c1-4-21-7-6-8-22(5-2)31(21)34-29(36)19-35-18-26(24-11-14-27-28(17-24)42-20-41-27)30(33(37)38)32(35)23-9-12-25(13-10-23)40-16-15-39-3/h6-14,17,26,30,32H,4-5,15-16,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1
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n/an/a 0.850n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50080628
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,2-dimethy...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1)C(C)(C)C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C32H36N2O6/c1-32(2,3)30(21-8-6-5-7-9-21)33-27(35)18-34-17-24(22-12-15-25-26(16-22)40-19-39-25)28(31(36)37)29(34)20-10-13-23(38-4)14-11-20/h5-16,24,28-30H,17-19H2,1-4H3,(H,33,35)(H,36,37)/t24-,28-,29+,30?/m1/s1
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n/an/a 0.940n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor


J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50051385
PNG
(2-((R)-3-(2-Bromo-1H-indol-3-yl)-2-{2-cyclopropyl-...)
Show SMILES CCCCC(NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc12)NC(=O)C(NC(=O)N1[C@@H](C)CCC[C@H]1C)C1CC1)C(O)=O
Show InChI InChI=1S/C30H42BrN5O5/c1-4-5-12-23(29(39)40)33-27(37)24(16-21-20-11-6-7-13-22(20)32-26(21)31)34-28(38)25(19-14-15-19)35-30(41)36-17(2)9-8-10-18(36)3/h6-7,11,13,17-19,23-25,32H,4-5,8-10,12,14-16H2,1-3H3,(H,33,37)(H,34,38)(H,35,41)(H,39,40)/t17-,18+,23?,24-,25?/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Endothelin B receptor in human girardi heart cell membranes


J Med Chem 39: 2313-30 (1996)


Article DOI: 10.1021/jm9600914
BindingDB Entry DOI: 10.7270/Q2XS5W2G
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50080597
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCc1cccc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OCCOC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C33H38N2O7/c1-4-21-7-6-8-22(5-2)31(21)34-29(36)19-35-18-26(24-11-14-27-28(17-24)42-20-41-27)30(33(37)38)32(35)23-9-12-25(13-10-23)40-16-15-39-3/h6-14,17,26,30,32H,4-5,15-16,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50080619
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(di-o-tolylm...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1C)c1ccccc1C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C36H36N2O6/c1-22-8-4-6-10-27(22)34(28-11-7-5-9-23(28)2)37-32(39)20-38-19-29(25-14-17-30-31(18-25)44-21-43-30)33(36(40)41)35(38)24-12-15-26(42-3)16-13-24/h4-18,29,33-35H,19-21H2,1-3H3,(H,37,39)(H,40,41)/t29-,33-,35+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor


J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50080616
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2-ethyl-1-p...)
Show SMILES CCC(CC)C(NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1)c1ccccc1
Show InChI InChI=1S/C33H38N2O6/c1-4-21(5-2)31(22-9-7-6-8-10-22)34-29(36)19-35-18-26(24-13-16-27-28(17-24)41-20-40-27)30(33(37)38)32(35)23-11-14-25(39-3)15-12-23/h6-17,21,26,30-32H,4-5,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,31?,32+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor


J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50061085
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(3-fluoro-4-m...)
Show SMILES CCCCCCS(=O)(=O)N(CCC)CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)c(F)c1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C30H41FN2O7S/c1-4-6-7-8-16-41(36,37)33(13-5-2)15-14-32-19-23(21-9-12-26-27(18-21)40-20-39-26)28(30(34)35)29(32)22-10-11-25(38-3)24(31)17-22/h9-12,17-18,23,28-29H,4-8,13-16,19-20H2,1-3H3,(H,34,35)/t23-,28-,29+/m1/s1
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n/an/a 1.12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability of the compound to block the ET-1-induced hydrolysis of inositol phosphate in Endothelin B receptor of chinese hamster ovary(CHO) cells.


J Med Chem 40: 3217-27 (1997)


Article DOI: 10.1021/jm970101g
BindingDB Entry DOI: 10.7270/Q2C24VJR
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50080593
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCc1cc(C)cc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H36N2O6/c1-5-20-13-19(3)14-21(6-2)30(20)33-28(35)17-34-16-25(23-9-12-26-27(15-23)40-18-39-26)29(32(36)37)31(34)22-7-10-24(38-4)11-8-22/h7-15,25,29,31H,5-6,16-18H2,1-4H3,(H,33,35)(H,36,37)/t25-,29-,31+/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50286614
PNG
(CHEMBL155943 | CHEMBL3143473 | Sodium; 2-[2-{2-[(2...)
Show SMILES [Na+].CCCC[C@@H](NC(=O)[C@@H](Cc1cn(COC)c2ccccc12)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C([O-])=O |r|
Show InChI InChI=1S/C34H53N5O6/c1-8-9-16-26(32(42)43)35-30(40)27(18-24-20-38(21-45-7)29-17-11-10-15-25(24)29)36-31(41)28(19-34(4,5)6)37-33(44)39-22(2)13-12-14-23(39)3/h10-11,15,17,20,22-23,26-28H,8-9,12-14,16,18-19,21H2,1-7H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43)/p-1
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TBA

Curated by ChEMBL


Assay Description
Antagonistic activity against endothelin B (ETB) receptor using human girardi heart cells.


Bioorg Med Chem Lett 5: 621-626 (1995)


Article DOI: 10.1016/0960-894X(95)00084-7
BindingDB Entry DOI: 10.7270/Q27081DM
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50080588
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1c(CC)cccc1CC)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C32H36N2O6/c1-4-20-8-7-9-21(5-2)30(20)33-28(35)18-34-17-25(23-12-15-26-27(16-23)40-19-39-26)29(32(36)37)31(34)22-10-13-24(14-11-22)38-6-3/h7-16,25,29,31H,4-6,17-19H2,1-3H3,(H,33,35)(H,36,37)/t25-,29-,31+/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
Endothelin receptor, ET-A/ET-B


(Homo sapiens (Human))
CHEMBL4075238
PNG
PDB

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St. John's University

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2281-2285 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.049
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50061074
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(3-fluoro-4-m...)
Show SMILES CCCCCS(=O)(=O)N(CCC)CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)c(F)c1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H39FN2O7S/c1-4-6-7-15-40(35,36)32(12-5-2)14-13-31-18-22(20-8-11-25-26(17-20)39-19-38-25)27(29(33)34)28(31)21-9-10-24(37-3)23(30)16-21/h8-11,16-17,22,27-28H,4-7,12-15,18-19H2,1-3H3,(H,33,34)/t22-,27-,28+/m1/s1
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n/an/a 1.28n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability of the compound to block the ET-1-induced hydrolysis of inositol phosphate in Endothelin B receptor of chinese hamster ovary(CHO) cells.


J Med Chem 40: 3217-27 (1997)


Article DOI: 10.1021/jm970101g
BindingDB Entry DOI: 10.7270/Q2C24VJR
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50080592
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCc1cccc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C31H34N2O6/c1-4-19-7-6-8-20(5-2)29(19)32-27(34)17-33-16-24(22-11-14-25-26(15-22)39-18-38-25)28(31(35)36)30(33)21-9-12-23(37-3)13-10-21/h6-15,24,28,30H,4-5,16-18H2,1-3H3,(H,32,34)(H,35,36)/t24-,28-,30+/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50061078
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(3-fluoro-4-m...)
Show SMILES CCCN(CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)c(F)c1)C(O)=O)c1ccc2OCOc2c1)S(=O)(=O)CCCC(F)(F)F
Show InChI InChI=1S/C28H34F4N2O7S/c1-3-10-34(42(37,38)13-4-9-28(30,31)32)12-11-33-16-20(18-5-8-23-24(15-18)41-17-40-23)25(27(35)36)26(33)19-6-7-22(39-2)21(29)14-19/h5-8,14-15,20,25-26H,3-4,9-13,16-17H2,1-2H3,(H,35,36)/t20-,25-,26+/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability of the compound to block the ET-1-induced hydrolysis of inositol phosphate in Endothelin B receptor of chinese hamster ovary(CHO) cells.


J Med Chem 40: 3217-27 (1997)


Article DOI: 10.1021/jm970101g
BindingDB Entry DOI: 10.7270/Q2C24VJR
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50080602
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...)
Show SMILES CCc1cc(CC)c(NC(=O)CN2C[C@@H]([C@H]([C@@H]2c2ccc(OC)cc2)C(O)=O)c2ccc3OCOc3c2)c(CC)c1
Show InChI InChI=1S/C33H38N2O6/c1-5-20-14-21(6-2)31(22(7-3)15-20)34-29(36)18-35-17-26(24-10-13-27-28(16-24)41-19-40-27)30(33(37)38)32(35)23-8-11-25(39-4)12-9-23/h8-16,26,30,32H,5-7,17-19H2,1-4H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50080614
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(di-o-tolylm...)
Show SMILES COCCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1C)c1ccccc1C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C38H40N2O7/c1-24-8-4-6-10-29(24)36(30-11-7-5-9-25(30)2)39-34(41)22-40-21-31(27-14-17-32-33(20-27)47-23-46-32)35(38(42)43)37(40)26-12-15-28(16-13-26)45-19-18-44-3/h4-17,20,31,35-37H,18-19,21-23H2,1-3H3,(H,39,41)(H,42,43)/t31-,35-,37+/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor


J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50080617
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(di-o-tolylm...)
Show SMILES CC(C)OCCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1C)c1ccccc1C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C40H44N2O7/c1-25(2)46-19-20-47-30-16-13-28(14-17-30)39-37(40(44)45)33(29-15-18-34-35(21-29)49-24-48-34)22-42(39)23-36(43)41-38(31-11-7-5-9-26(31)3)32-12-8-6-10-27(32)4/h5-18,21,25,33,37-39H,19-20,22-24H2,1-4H3,(H,41,43)(H,44,45)/t33-,37-,39+/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor


J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50124419
PNG
(CHEMBL172297 | Thiophene-2-sulfonic acid {3-[6-(4-...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCCNS(=O)(=O)c1cccs1)C1CC1
Show InChI InChI=1S/C31H36N4O7S3/c1-31(2,3)22-14-16-23(17-15-22)44(36,37)35-29-27(42-25-10-6-5-9-24(25)40-4)30(34-28(33-29)21-12-13-21)41-19-8-18-32-45(38,39)26-11-7-20-43-26/h5-7,9-11,14-17,20-21,32H,8,12-13,18-19H2,1-4H3,(H,33,34,35)
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n/an/a 2n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETB receptor


Bioorg Med Chem Lett 13: 951-4 (2003)


BindingDB Entry DOI: 10.7270/Q2D50M9J
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50080622
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(C(C)C)c1ccccc1)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C31H34N2O6/c1-19(2)29(20-7-5-4-6-8-20)32-27(34)17-33-16-24(22-11-14-25-26(15-22)39-18-38-25)28(31(35)36)30(33)21-9-12-23(37-3)13-10-21/h4-15,19,24,28-30H,16-18H2,1-3H3,(H,32,34)(H,35,36)/t24-,28-,29?,30+/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor


J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50080624
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,2-dimethy...)
Show SMILES COCCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1)C(C)(C)C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C34H40N2O7/c1-34(2,3)32(23-8-6-5-7-9-23)35-29(37)20-36-19-26(24-12-15-27-28(18-24)43-21-42-27)30(33(38)39)31(36)22-10-13-25(14-11-22)41-17-16-40-4/h5-15,18,26,30-32H,16-17,19-21H2,1-4H3,(H,35,37)(H,38,39)/t26-,30-,31+,32?/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor


J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50080610
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...)
Show SMILES CCC(NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1)c1ccccc1
Show InChI InChI=1S/C30H32N2O6/c1-3-24(19-7-5-4-6-8-19)31-27(33)17-32-16-23(21-11-14-25-26(15-21)38-18-37-25)28(30(34)35)29(32)20-9-12-22(36-2)13-10-20/h4-15,23-24,28-29H,3,16-18H2,1-2H3,(H,31,33)(H,34,35)/t23-,24?,28-,29+/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor


J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50080627
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-({[(2-ethyl-p...)
Show SMILES CCc1ccccc1C(NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OCCOC(C)C)cc1)C(O)=O)c1ccc2OCOc2c1)c1ccccc1C
Show InChI InChI=1S/C41H46N2O7/c1-5-28-11-7-9-13-33(28)39(32-12-8-6-10-27(32)4)42-37(44)24-43-23-34(30-16-19-35-36(22-30)50-25-49-35)38(41(45)46)40(43)29-14-17-31(18-15-29)48-21-20-47-26(2)3/h6-19,22,26,34,38-40H,5,20-21,23-25H2,1-4H3,(H,42,44)(H,45,46)/t34-,38-,39?,40+/m1/s1
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n/an/a 3.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor


J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50080617
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(di-o-tolylm...)
Show SMILES CC(C)OCCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1C)c1ccccc1C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C40H44N2O7/c1-25(2)46-19-20-47-30-16-13-28(14-17-30)39-37(40(44)45)33(29-15-18-34-35(21-29)49-24-48-34)22-42(39)23-36(43)41-38(31-11-7-5-9-26(31)3)32-12-8-6-10-27(32)4/h5-18,21,25,33,37-39H,19-20,22-24H2,1-4H3,(H,41,43)(H,44,45)/t33-,37-,39+/m1/s1
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n/an/a 3.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor


J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50080615
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1)c1ccccc1C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C35H34N2O6/c1-22-8-6-7-11-27(22)33(23-9-4-3-5-10-23)36-31(38)20-37-19-28(25-14-17-29-30(18-25)43-21-42-29)32(35(39)40)34(37)24-12-15-26(41-2)16-13-24/h3-18,28,32-34H,19-21H2,1-2H3,(H,36,38)(H,39,40)/t28-,32-,33?,34+/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor


J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50080620
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(CC(C)C)c1ccccc1)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C32H36N2O6/c1-20(2)15-26(21-7-5-4-6-8-21)33-29(35)18-34-17-25(23-11-14-27-28(16-23)40-19-39-27)30(32(36)37)31(34)22-9-12-24(38-3)13-10-22/h4-14,16,20,25-26,30-31H,15,17-19H2,1-3H3,(H,33,35)(H,36,37)/t25-,26?,30-,31+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor


J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50075421
PNG
(7-(Ethyl-methanesulfonyl-amino)-1-(2-methoxy-benzy...)
Show SMILES CCN(c1ccc2c(c1)oc1c(-c3ccc(OC)cc3)c(C(O)=O)c(=O)n(Cc3ccccc3OC)c21)S(C)(=O)=O
Show InChI InChI=1S/C30H28N2O8S/c1-5-32(41(4,36)37)20-12-15-22-24(16-20)40-28-25(18-10-13-21(38-2)14-11-18)26(30(34)35)29(33)31(27(22)28)17-19-8-6-7-9-23(19)39-3/h6-16H,5,17H2,1-4H3,(H,34,35)
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n/an/a 3.60n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes


Bioorg Med Chem Lett 9: 619-22 (1999)


BindingDB Entry DOI: 10.7270/Q2DB811P
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50051406
PNG
(2-((R)-3-(2-Bromo-1H-indol-3-yl)-2-{2-[((2S,6R)-2,...)
Show SMILES CCSCC(NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc12)NC(=O)C(CC(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C(O)=O
Show InChI InChI=1S/C30H44BrN5O5S/c1-6-42-16-25(29(39)40)34-28(38)24(15-21-20-12-7-8-13-22(20)32-26(21)31)33-27(37)23(14-17(2)3)35-30(41)36-18(4)10-9-11-19(36)5/h7-8,12-13,17-19,23-25,32H,6,9-11,14-16H2,1-5H3,(H,33,37)(H,34,38)(H,35,41)(H,39,40)/t18-,19+,23?,24-,25?/m1/s1
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n/an/a 3.60n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity rowards Endothelin B receptor in human girardi heart cell membranes


J Med Chem 39: 2313-30 (1996)


Article DOI: 10.1021/jm9600914
BindingDB Entry DOI: 10.7270/Q2XS5W2G
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50080588
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1c(CC)cccc1CC)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C32H36N2O6/c1-4-20-8-7-9-21(5-2)30(20)33-28(35)18-34-17-25(23-12-15-26-27(16-23)40-19-39-26)29(32(36)37)31(34)22-10-13-24(14-11-22)38-6-3/h7-16,25,29,31H,4-6,17-19H2,1-3H3,(H,33,35)(H,36,37)/t25-,29-,31+/m1/s1
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n/an/a 3.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50104987
PNG
(CHEMBL367445 | sodium salt of 4-tert-Butyl-N-{6-[2...)
Show SMILES Cc1ccc(cc1)-c1c([N-]S(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(cn1)-c1cccs1
Show InChI InChI=1S/C31H30N5O4S2/c1-21-7-9-22(10-8-21)27-28(36-42(37,38)25-13-11-24(12-14-25)31(2,3)4)34-20-35-29(27)39-15-16-40-30-32-18-23(19-33-30)26-6-5-17-41-26/h5-14,17-20H,15-16H2,1-4H3/q-1
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n/an/a 3.80n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro for specific binding of [125I]-ET-1 to GHcell expressed in Endothelin B receptor


J Med Chem 44: 3355-68 (2001)


BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50080596
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCc1cccc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(CCOC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C33H38N2O6/c1-4-22-7-6-8-23(5-2)31(22)34-29(36)19-35-18-26(25-13-14-27-28(17-25)41-20-40-27)30(33(37)38)32(35)24-11-9-21(10-12-24)15-16-39-3/h6-14,17,26,30,32H,4-5,15-16,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50284768
PNG
((S)-2-((R)-3-(2-Cyano-1H-indol-3-yl)-2-{2-[((2R,6S...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1c([nH]c2ccccc12)C#N)NC(=O)C(NC(=O)N1[C@@H](C)CCC[C@H]1C)C(C)C)C(O)=O
Show InChI InChI=1S/C31H44N6O5/c1-6-7-14-24(30(40)41)34-28(38)25(16-22-21-13-8-9-15-23(21)33-26(22)17-32)35-29(39)27(18(2)3)36-31(42)37-19(4)11-10-12-20(37)5/h8-9,13,15,18-20,24-25,27,33H,6-7,10-12,14,16H2,1-5H3,(H,34,38)(H,35,39)(H,36,42)(H,40,41)/t19-,20+,24-,25+,27?/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Functional inhibition of ET-1 induced [Ca2+] increase in human Girardi heart (hGH) cells, which express Endothelin B receptor


Bioorg Med Chem Lett 5: 1483-1488 (1995)


Article DOI: 10.1016/0960-894X(95)00237-N
BindingDB Entry DOI: 10.7270/Q27D2VM3
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50051394
PNG
(2-[(R)-2-{2-Cyclopropyl-2-[((2R,6S)-2,6-dimethyl-p...)
Show SMILES CSCCC(NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc12)NC(=O)C(NC(=O)N1[C@@H](C)CCC[C@H]1C)C1CC1)C(O)=O
Show InChI InChI=1S/C30H43N5O5S/c1-17-8-7-9-18(2)35(17)30(40)34-26(20-12-13-20)28(37)33-25(27(36)32-24(29(38)39)14-15-41-4)16-22-19(3)31-23-11-6-5-10-21(22)23/h5-6,10-11,17-18,20,24-26,31H,7-9,12-16H2,1-4H3,(H,32,36)(H,33,37)(H,34,40)(H,38,39)/t17-,18+,24?,25-,26?/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Endothelin B receptor in human girardi heart cell membranes


J Med Chem 39: 2313-30 (1996)


Article DOI: 10.1021/jm9600914
BindingDB Entry DOI: 10.7270/Q2XS5W2G
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50124446
PNG
(5-Isopropyl-pyridine-2-sulfonic acid {2-cyclopropy...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCCCNS(=O)(=O)c1cccs1)C1CC1
Show InChI InChI=1S/C29H33N5O7S3/c1-19(2)21-13-14-24(30-18-21)43(35,36)34-28-26(41-23-9-5-4-8-22(23)39-3)29(33-27(32-28)20-11-12-20)40-16-7-15-31-44(37,38)25-10-6-17-42-25/h4-6,8-10,13-14,17-20,31H,7,11-12,15-16H2,1-3H3,(H,32,33,34)
PDB

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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETB receptor


Bioorg Med Chem Lett 13: 951-4 (2003)


BindingDB Entry DOI: 10.7270/Q2D50M9J
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50080594
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2-ethyl-6-m...)
Show SMILES CCc1cccc(C)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C30H32N2O6/c1-4-19-7-5-6-18(2)28(19)31-26(33)16-32-15-23(21-10-13-24-25(14-21)38-17-37-24)27(30(34)35)29(32)20-8-11-22(36-3)12-9-20/h5-14,23,27,29H,4,15-17H2,1-3H3,(H,31,33)(H,34,35)/t23-,27-,29+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50124442
PNG
(CHEMBL276949 | Thiophene-2-sulfonic acid {3-[6-(4-...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCCNS(=O)(=O)c1cccs1)-c1ncccn1
Show InChI InChI=1S/C32H34N6O7S3/c1-32(2,3)22-13-15-23(16-14-22)47(39,40)38-28-27(45-25-11-6-5-10-24(25)43-4)31(37-30(36-28)29-33-17-8-18-34-29)44-20-9-19-35-48(41,42)26-12-7-21-46-26/h5-8,10-18,21,35H,9,19-20H2,1-4H3,(H,36,37,38)
PDB

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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETB receptor


Bioorg Med Chem Lett 13: 951-4 (2003)


BindingDB Entry DOI: 10.7270/Q2D50M9J
More data for this
Ligand-Target Pair
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