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Compile Data Set for Download or QSAR

Found 294 hits of ic50 for UniProtKB: P21451   
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
Endothelin receptor type B


(RAT)
BDBM50107562
PNG
(CHEMBL168119 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCOc1ncc(Br)cn1)N1CCC(O)CC1
Show InChI InChI=1S/C32H37BrN6O7S/c1-32(2,3)21-9-11-24(12-10-21)47(41,42)38-28-27(46-26-8-6-5-7-25(26)43-4)29(37-30(36-28)39-15-13-23(40)14-16-39)44-17-18-45-31-34-19-22(33)20-35-31/h5-12,19-20,23,40H,13-18H2,1-4H3,(H,36,37,38)
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n/an/a>1n/an/an/an/an/an/a



Tanabe Seiyaku Co. Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125 I]ET-1 binding to Endothelin B receptor (ETB-receptor) in rat cerebellum membranes


Bioorg Med Chem Lett 12: 81-4 (2001)


BindingDB Entry DOI: 10.7270/Q2VX0FSC
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50107561
PNG
(CHEMBL168441 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(NCCO)nc1OCCOc1ncc(Br)cn1
Show InChI InChI=1S/C29H33BrN6O7S/c1-29(2,3)19-9-11-21(12-10-19)44(38,39)36-25-24(43-23-8-6-5-7-22(23)40-4)26(35-27(34-25)31-13-14-37)41-15-16-42-28-32-17-20(30)18-33-28/h5-12,17-18,37H,13-16H2,1-4H3,(H2,31,34,35,36)
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n/an/a>1n/an/an/an/an/an/a



Tanabe Seiyaku Co. Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125 I]ET-1 binding to Endothelin B receptor (ETB-receptor) in rat cerebellum membranes


Bioorg Med Chem Lett 12: 81-4 (2001)


BindingDB Entry DOI: 10.7270/Q2VX0FSC
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50105048
PNG
(CHEMBL112144 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(Br)cn1
Show InChI InChI=1S/C27H28BrN5O6S/c1-27(2,3)18-9-11-20(12-10-18)40(34,35)33-24-23(39-22-8-6-5-7-21(22)36-4)25(32-17-31-24)37-13-14-38-26-29-15-19(28)16-30-26/h5-12,15-17H,13-14H2,1-4H3,(H,31,32,33)
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n/an/a>1n/an/an/an/an/an/a



Tanabe Seiyaku Co. Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125 I]ET-1 binding to Endothelin B receptor (ETB-receptor) in rat cerebellum membranes


Bioorg Med Chem Lett 12: 81-4 (2001)


BindingDB Entry DOI: 10.7270/Q2VX0FSC
More data for this
Ligand-Target Pair
Endothelin receptor type B


(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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n/an/a 1.60n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of ET-1 binding to Endothelin B receptor in cultured rat cerebellar membranes


J Med Chem 35: 3301-3 (1992)


BindingDB Entry DOI: 10.7270/Q21C1XGJ
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50093997
PNG
(4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...)
Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1cccs1
Show InChI InChI=1S/C23H23ClN2O4S/c24-17-11-19-18(29-13-30-19)10-15(17)9-16-21(20-7-4-8-31-20)25-26(22(16)23(27)28)12-14-5-2-1-3-6-14/h4,7-8,10-11,14H,1-3,5-6,9,12-13H2,(H,27,28)
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n/an/a 1.70n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50093993
PNG
(4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...)
Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1ccccc1
Show InChI InChI=1S/C25H25ClN2O4/c26-20-13-22-21(31-15-32-22)12-18(20)11-19-23(17-9-5-2-6-10-17)27-28(24(19)25(29)30)14-16-7-3-1-4-8-16/h2,5-6,9-10,12-13,16H,1,3-4,7-8,11,14-15H2,(H,29,30)
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n/an/a 2.60n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50093996
PNG
(4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...)
Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1ccsc1
Show InChI InChI=1S/C23H23ClN2O4S/c24-18-10-20-19(29-13-30-20)9-16(18)8-17-21(15-6-7-31-12-15)25-26(22(17)23(27)28)11-14-4-2-1-3-5-14/h6-7,9-10,12,14H,1-5,8,11,13H2,(H,27,28)
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n/an/a 3.20n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50093995
PNG
(2-(2-Carboxymethoxy-cyclohexylmethyl)-4-(6-chloro-...)
Show SMILES OC(=O)COC1CCCCC1Cn1nc(c(Cc2cc3OCOc3cc2Cl)c1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C27H27ClN2O7/c28-20-12-23-22(36-15-37-23)11-18(20)10-19-25(16-6-2-1-3-7-16)29-30(26(19)27(33)34)13-17-8-4-5-9-21(17)35-14-24(31)32/h1-3,6-7,11-12,17,21H,4-5,8-10,13-15H2,(H,31,32)(H,33,34)
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n/an/a 3.20n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50093984
PNG
(2-(2-Carboxymethoxy-benzyl)-4-(6-chloro-benzo[1,3]...)
Show SMILES OC(=O)COc1ccccc1Cn1nc(c(Cc2cc3OCOc3cc2Cl)c1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C27H21ClN2O7/c28-20-12-23-22(36-15-37-23)11-18(20)10-19-25(16-6-2-1-3-7-16)29-30(26(19)27(33)34)13-17-8-4-5-9-21(17)35-14-24(31)32/h1-9,11-12H,10,13-15H2,(H,31,32)(H,33,34)
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n/an/a 3.30n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50094004
PNG
(4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...)
Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1ccccn1
Show InChI InChI=1S/C24H24ClN3O4/c25-18-12-21-20(31-14-32-21)11-16(18)10-17-22(19-8-4-5-9-26-19)27-28(23(17)24(29)30)13-15-6-2-1-3-7-15/h4-5,8-9,11-12,15H,1-3,6-7,10,13-14H2,(H,29,30)
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n/an/a 3.40n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50093988
PNG
(2-(2-Carboxymethoxy-4-methoxy-benzyl)-4-(6-chloro-...)
Show SMILES COc1ccc(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2ccccc2)c(OCC(O)=O)c1
Show InChI InChI=1S/C28H23ClN2O8/c1-36-19-8-7-17(22(11-19)37-14-25(32)33)13-31-27(28(34)35)20(26(30-31)16-5-3-2-4-6-16)9-18-10-23-24(12-21(18)29)39-15-38-23/h2-8,10-12H,9,13-15H2,1H3,(H,32,33)(H,34,35)
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n/an/a 4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50093986
PNG
(2-(2-Carboxymethoxy-benzyl)-4-(6-chloro-benzo[1,3]...)
Show SMILES OC(=O)COc1ccccc1Cn1nc(c(Cc2cc3OCOc3cc2Cl)c1C(O)=O)-c1cccs1
Show InChI InChI=1S/C25H19ClN2O7S/c26-17-10-20-19(34-13-35-20)9-15(17)8-16-23(21-6-3-7-36-21)27-28(24(16)25(31)32)11-14-4-1-2-5-18(14)33-12-22(29)30/h1-7,9-10H,8,11-13H2,(H,29,30)(H,31,32)
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n/an/a 4.60n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50093980
PNG
(2-Adamantan-1-ylmethyl-4-(6-chloro-benzo[1,3]dioxo...)
Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC12CC3CC(CC(C3)C1)C2)-c1ccccc1 |TLB:27:26:29:22.21.23,27:22:29:26.28.25,23:24:28:22.21.27,THB:23:22:28:24.29.25,25:26:21:24.29.23,25:24:21:26.28.27|
Show InChI InChI=1S/C29H29ClN2O4/c30-23-11-25-24(35-16-36-25)10-21(23)9-22-26(20-4-2-1-3-5-20)31-32(27(22)28(33)34)15-29-12-17-6-18(13-29)8-19(7-17)14-29/h1-5,10-11,17-19H,6-9,12-16H2,(H,33,34)
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n/an/a 4.90n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50093990
PNG
(4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...)
Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1cccnc1
Show InChI InChI=1S/C24H24ClN3O4/c25-19-11-21-20(31-14-32-21)10-17(19)9-18-22(16-7-4-8-26-12-16)27-28(23(18)24(29)30)13-15-5-2-1-3-6-15/h4,7-8,10-12,15H,1-3,5-6,9,13-14H2,(H,29,30)
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n/an/a 6.30n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50093981
PNG
(2-(2-Carboxymethoxy-4-methoxy-benzyl)-4-(6-chloro-...)
Show SMILES COc1ccc(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2cccs2)c(OCC(O)=O)c1
Show InChI InChI=1S/C26H21ClN2O8S/c1-34-16-5-4-14(19(9-16)35-12-23(30)31)11-29-25(26(32)33)17(24(28-29)22-3-2-6-38-22)7-15-8-20-21(10-18(15)27)37-13-36-20/h2-6,8-10H,7,11-13H2,1H3,(H,30,31)(H,32,33)
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n/an/a 8.60n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50094001
PNG
(4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(3,5-di...)
Show SMILES COc1cc(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2ccccc2)cc(OC)c1
Show InChI InChI=1S/C27H23ClN2O6/c1-33-19-8-16(9-20(12-19)34-2)14-30-26(27(31)32)21(25(29-30)17-6-4-3-5-7-17)10-18-11-23-24(13-22(18)28)36-15-35-23/h3-9,11-13H,10,14-15H2,1-2H3,(H,31,32)
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n/an/a 9.70n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50093987
PNG
(4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...)
Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1ccco1
Show InChI InChI=1S/C23H23ClN2O5/c24-17-11-20-19(30-13-31-20)10-15(17)9-16-21(18-7-4-8-29-18)25-26(22(16)23(27)28)12-14-5-2-1-3-6-14/h4,7-8,10-11,14H,1-3,5-6,9,12-13H2,(H,27,28)
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n/an/a 9.80n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50094000
PNG
(2-(3-Carboxy-cyclohexylmethyl)-4-(6-chloro-benzo[1...)
Show SMILES OC(=O)C1CCCC(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2cccs2)C1
Show InChI InChI=1S/C24H23ClN2O6S/c25-17-10-19-18(32-12-33-19)9-15(17)8-16-21(20-5-2-6-34-20)26-27(22(16)24(30)31)11-13-3-1-4-14(7-13)23(28)29/h2,5-6,9-10,13-14H,1,3-4,7-8,11-12H2,(H,28,29)(H,30,31)
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n/an/a 9.90n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50032175
PNG
((S)-3-[(S)-2-((S)-2-Acetylamino-3,3-diphenyl-propi...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C50H66N10O10/c1-6-28(3)41(46(66)58-38(49(69)70)25-33-27-54-35-22-15-14-21-34(33)35)60-47(67)42(29(4)7-2)59-45(65)37(26-39(62)63)57-44(64)36(23-16-24-53-50(51)52)56-48(68)43(55-30(5)61)40(31-17-10-8-11-18-31)32-19-12-9-13-20-32/h8-15,17-22,27-29,36-38,40-43,54H,6-7,16,23-26H2,1-5H3,(H,55,61)(H,56,68)(H,57,64)(H,58,66)(H,59,65)(H,60,67)(H,62,63)(H,69,70)(H4,51,52,53)/t28-,29-,36-,37-,38-,41-,42-,43-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against endothelin B receptor rat cerebellar membranes.


J Med Chem 38: 2809-19 (1995)


BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50093998
PNG
(4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(3-chlo...)
Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1Cc1cccc(Cl)c1)-c1ccccc1
Show InChI InChI=1S/C25H18Cl2N2O4/c26-18-8-4-5-15(9-18)13-29-24(25(30)31)19(23(28-29)16-6-2-1-3-7-16)10-17-11-21-22(12-20(17)27)33-14-32-21/h1-9,11-12H,10,13-14H2,(H,30,31)
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n/an/a 11n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50032216
PNG
((S)-3-[(S)-2-((S)-2-Acetylamino-3,3-diphenyl-propi...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C53H63N7O11/c1-6-31(4)46(51(68)59-43(53(70)71)27-36-29-54-39-20-14-13-19-38(36)39)60-50(67)41(26-33-21-23-37(62)24-22-33)56-49(66)42(28-44(63)64)57-48(65)40(25-30(2)3)58-52(69)47(55-32(5)61)45(34-15-9-7-10-16-34)35-17-11-8-12-18-35/h7-24,29-31,40-43,45-47,54,62H,6,25-28H2,1-5H3,(H,55,61)(H,56,66)(H,57,65)(H,58,69)(H,59,68)(H,60,67)(H,63,64)(H,70,71)/t31-,40-,41-,42-,43-,46-,47-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against endothelin B receptor rat cerebellar membranes.


J Med Chem 38: 2809-19 (1995)


BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50032181
PNG
(2-{1-[1-(2-carboxy-1-{1-[10,11-dihydro-5H-dibenzo[...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C52H67N7O10/c1-8-29(5)44(49(65)57-41(52(68)69)25-34-27-53-38-21-15-14-18-35(34)38)59-50(66)45(30(6)9-2)58-48(64)40(26-42(61)62)55-47(63)39(24-28(3)4)56-51(67)46(54-31(7)60)43-36-19-12-10-16-32(36)22-23-33-17-11-13-20-37(33)43/h10-21,27-30,39-41,43-46,53H,8-9,22-26H2,1-7H3,(H,54,60)(H,55,63)(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,61,62)(H,68,69)/t29-,30-,39-,40-,41-,44-,45-,46-/m0/s1
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PubMed
n/an/a 15n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated by measuring the binding affinity at the Endothelin B receptor in rat cerebellar membranes


J Med Chem 40: 2228-40 (1997)


Article DOI: 10.1021/jm970161m
BindingDB Entry DOI: 10.7270/Q24T6K1W
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50032181
PNG
(2-{1-[1-(2-carboxy-1-{1-[10,11-dihydro-5H-dibenzo[...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C52H67N7O10/c1-8-29(5)44(49(65)57-41(52(68)69)25-34-27-53-38-21-15-14-18-35(34)38)59-50(66)45(30(6)9-2)58-48(64)40(26-42(61)62)55-47(63)39(24-28(3)4)56-51(67)46(54-31(7)60)43-36-19-12-10-16-32(36)22-23-33-17-11-13-20-37(33)43/h10-21,27-30,39-41,43-46,53H,8-9,22-26H2,1-7H3,(H,54,60)(H,55,63)(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,61,62)(H,68,69)/t29-,30-,39-,40-,41-,44-,45-,46-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against endothelin B receptor rat cerebellar membranes.


J Med Chem 38: 2809-19 (1995)


BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50093999
PNG
(2-(3-Carboxy-cyclohexylmethyl)-4-(6-chloro-benzo[1...)
Show SMILES OC(=O)C1CCCC(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2ccccc2)C1
Show InChI InChI=1S/C26H25ClN2O6/c27-20-12-22-21(34-14-35-22)11-18(20)10-19-23(16-6-2-1-3-7-16)28-29(24(19)26(32)33)13-15-5-4-8-17(9-15)25(30)31/h1-3,6-7,11-12,15,17H,4-5,8-10,13-14H2,(H,30,31)(H,32,33)
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n/an/a 15n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50032202
PNG
((S)-2-[(2S,3S)-2-((2S,3S)-2-{(S)-2-[(S)-2-((S)-2-A...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C49H65N7O8/c1-9-29(5)41(46(60)54-39(49(63)64)26-35-27-50-37-24-18-17-23-36(35)37)56-47(61)42(30(6)10-2)55-44(58)31(7)51-45(59)38(25-28(3)4)53-48(62)43(52-32(8)57)40(33-19-13-11-14-20-33)34-21-15-12-16-22-34/h11-24,27-31,38-43,50H,9-10,25-26H2,1-8H3,(H,51,59)(H,52,57)(H,53,62)(H,54,60)(H,55,58)(H,56,61)(H,63,64)/t29-,30-,31-,38-,39-,41-,42-,43-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against endothelin B receptor rat cerebellar membranes.


J Med Chem 38: 2809-19 (1995)


BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50032172
PNG
((S)-3-[(S)-2-((S)-2-Acetylamino-3,3-diphenyl-propi...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C50H65N7O10/c1-8-29(5)42(47(63)55-39(50(66)67)25-34-27-51-36-23-17-16-22-35(34)36)57-48(64)43(30(6)9-2)56-46(62)38(26-40(59)60)53-45(61)37(24-28(3)4)54-49(65)44(52-31(7)58)41(32-18-12-10-13-19-32)33-20-14-11-15-21-33/h10-23,27-30,37-39,41-44,51H,8-9,24-26H2,1-7H3,(H,52,58)(H,53,61)(H,54,65)(H,55,63)(H,56,62)(H,57,64)(H,59,60)(H,66,67)/t29-,30-,37-,38-,39-,42-,43-,44-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of ET-1 stimulated arachidonic acid release in CHO cells expressing rat ET- B receptors


J Med Chem 38: 2809-19 (1995)


BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50032178
PNG
((S)-N-((1S,2S)-1-{(1S,2S)-1-[(S)-1-Carboxy-2-(1H-i...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)NC)C(c1ccccc1)c1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C50H66N8O10/c1-8-29(5)41(46(63)55-38(49(66)67)25-33-27-52-35-23-17-16-22-34(33)35)57-47(64)42(30(6)9-2)56-45(62)37(26-39(59)60)53-44(61)36(24-28(3)4)54-48(65)43(58-50(68)51-7)40(31-18-12-10-13-19-31)32-20-14-11-15-21-32/h10-23,27-30,36-38,40-43,52H,8-9,24-26H2,1-7H3,(H,53,61)(H,54,65)(H,55,63)(H,56,62)(H,57,64)(H,59,60)(H,66,67)(H2,51,58,68)/t29-,30-,36-,37-,38-,41-,42-,43-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of ET-1 stimulated arachidonic acid release in CHO cells expressing rat ET- B receptors


J Med Chem 38: 2809-19 (1995)


BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50032166
PNG
((S)-3-[(S)-2-((S)-2-Acetylamino-3-phenyl-propionyl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C47H59N7O10/c1-6-27(3)40(45(61)52-38(47(63)64)24-32-26-48-34-21-15-14-20-33(32)34)54-46(62)41(28(4)7-2)53-44(60)37(25-39(56)57)51-43(59)36(23-31-18-12-9-13-19-31)50-42(58)35(49-29(5)55)22-30-16-10-8-11-17-30/h8-21,26-28,35-38,40-41,48H,6-7,22-25H2,1-5H3,(H,49,55)(H,50,58)(H,51,59)(H,52,61)(H,53,60)(H,54,62)(H,56,57)(H,63,64)/t27-,28-,35-,36-,37-,38-,40-,41-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against endothelin B receptor rat cerebellar membranes.


J Med Chem 38: 2809-19 (1995)


BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50369269
PNG
(CHEMBL1793932)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)CC)C(=O)NCC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C51H68N8O9/c1-8-30(5)44(59-50(67)45(31(6)9-2)58-47(64)37(52)25-35-27-53-38-23-17-16-22-36(35)38)49(66)54-28-41(61)39(26-42(62)63)56-48(65)40(24-29(3)4)57-51(68)46(55-32(7)60)43(33-18-12-10-13-19-33)34-20-14-11-15-21-34/h10-23,27,29-31,37,39-40,43-46,53H,8-9,24-26,28,52H2,1-7H3,(H,54,66)(H,55,60)(H,56,65)(H,57,68)(H,58,64)(H,59,67)(H,62,63)/t30-,31-,37-,39-,40-,44-,45-,46-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of binding to Endothelin B receptor of rat cerebellar membranes.


J Med Chem 40: 2228-40 (1997)


Article DOI: 10.1021/jm970161m
BindingDB Entry DOI: 10.7270/Q24T6K1W
More data for this
Ligand-Target Pair
Endothelin receptor type B/1 receptor


(RAT)
BDBM50045239
PNG
(Ac-D-Dip-Leu-Asp-Ile-Ile-Trp | Ac-D-Dip-Leu-Asp-Il...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(C)=O)C(c1ccccc1)c1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C50H65N7O10/c1-8-29(5)42(47(63)55-39(50(66)67)25-34-27-51-36-23-17-16-22-35(34)36)57-48(64)43(30(6)9-2)56-46(62)38(26-40(59)60)53-45(61)37(24-28(3)4)54-49(65)44(52-31(7)58)41(32-18-12-10-13-19-32)33-20-14-11-15-21-33/h10-23,27-30,37-39,41-44,51H,8-9,24-26H2,1-7H3,(H,52,58)(H,53,61)(H,54,65)(H,55,63)(H,56,62)(H,57,64)(H,59,60)(H,66,67)/t29-,30-,37-,38-,39-,42-,43-,44+/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against Endothelin receptor from rat heart ventricle


J Med Chem 36: 2585-94 (1993)


BindingDB Entry DOI: 10.7270/Q2V69K6K
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50093991
PNG
(4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(3,4-di...)
Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1Cc1ccc(Cl)c(Cl)c1)-c1ccccc1
Show InChI InChI=1S/C25H17Cl3N2O4/c26-18-7-6-14(8-20(18)28)12-30-24(25(31)32)17(23(29-30)15-4-2-1-3-5-15)9-16-10-21-22(11-19(16)27)34-13-33-21/h1-8,10-11H,9,12-13H2,(H,31,32)
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n/an/a 26n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50032173
PNG
((S)-3-[(S)-2-((S)-2-Benzoylamino-3,3-diphenyl-prop...)
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](NC(=O)c1ccccc1)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C55H67N7O10/c1-7-33(5)46(52(68)59-43(55(71)72)29-38-31-56-40-27-19-18-26-39(38)40)61-53(69)47(34(6)8-2)60-51(67)42(30-44(63)64)57-50(66)41(28-32(3)4)58-54(70)48(62-49(65)37-24-16-11-17-25-37)45(35-20-12-9-13-21-35)36-22-14-10-15-23-36/h9-27,31-34,41-43,45-48,56H,7-8,28-30H2,1-6H3,(H,57,66)(H,58,70)(H,59,68)(H,60,67)(H,61,69)(H,62,65)(H,63,64)(H,71,72)/t33-,34-,41-,42-,43-,46-,47-,48-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against endothelin B receptor rat cerebellar membranes.


J Med Chem 38: 2809-19 (1995)


BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50281565
PNG
((S)-3-[(R)-2-((R)-2-Acetylamino-3-phenyl-propionyl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C47H59N7O10/c1-6-27(3)40(45(61)52-38(47(63)64)24-32-26-48-34-21-15-14-20-33(32)34)54-46(62)41(28(4)7-2)53-44(60)37(25-39(56)57)51-43(59)36(23-31-18-12-9-13-19-31)50-42(58)35(49-29(5)55)22-30-16-10-8-11-17-30/h8-21,26-28,35-38,40-41,48H,6-7,22-25H2,1-5H3,(H,49,55)(H,50,58)(H,51,59)(H,52,61)(H,53,60)(H,54,62)(H,56,57)(H,63,64)/t27-,28-,35+,36+,37-,38-,40-,41-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


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


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


(RAT)
BDBM50093992
PNG
(4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(2-ethy...)
Show SMILES CCC(CC)Cn1nc(c(Cc2cc3OCOc3cc2Cl)c1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C24H25ClN2O4/c1-3-15(4-2)13-27-23(24(28)29)18(22(26-27)16-8-6-5-7-9-16)10-17-11-20-21(12-19(17)25)31-14-30-20/h5-9,11-12,15H,3-4,10,13-14H2,1-2H3,(H,28,29)
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n/an/a 31n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50032180
PNG
((S)-2-[(2S,3S)-2-((2S,3S)-2-{(S)-2-[(S)-2-((S)-2-A...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C55H69N7O8/c1-8-34(5)47(52(66)60-45(55(69)70)31-40-32-56-42-28-20-19-27-41(40)42)62-53(67)48(35(6)9-2)61-51(65)44(30-37-21-13-10-14-22-37)58-50(64)43(29-33(3)4)59-54(68)49(57-36(7)63)46(38-23-15-11-16-24-38)39-25-17-12-18-26-39/h10-28,32-35,43-49,56H,8-9,29-31H2,1-7H3,(H,57,63)(H,58,64)(H,59,68)(H,60,66)(H,61,65)(H,62,67)(H,69,70)/t34-,35-,43-,44-,45-,47-,48-,49-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against endothelin B receptor rat cerebellar membranes.


J Med Chem 38: 2809-19 (1995)


BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50089716
PNG
(4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(3-meth...)
Show SMILES COc1cccc(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2ccccc2)c1
Show InChI InChI=1S/C26H21ClN2O5/c1-32-19-9-5-6-16(10-19)14-29-25(26(30)31)20(24(28-29)17-7-3-2-4-8-17)11-18-12-22-23(13-21(18)27)34-15-33-22/h2-10,12-13H,11,14-15H2,1H3,(H,30,31)
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n/an/a 34n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of [125-I] labelled ET-1 endothelin binding to Endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50089716
PNG
(4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(3-meth...)
Show SMILES COc1cccc(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2ccccc2)c1
Show InChI InChI=1S/C26H21ClN2O5/c1-32-19-9-5-6-16(10-19)14-29-25(26(30)31)20(24(28-29)17-7-3-2-4-8-17)11-18-12-22-23(13-21(18)27)34-15-33-22/h2-10,12-13H,11,14-15H2,1H3,(H,30,31)
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n/an/a 34n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
Endothelin receptor type B


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



TBA

Curated by ChEMBL


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


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


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


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



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Effective concentration against Endothelin B receptor from rat cerebellum


J Med Chem 36: 2585-94 (1993)


BindingDB Entry DOI: 10.7270/Q2V69K6K
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50089721
PNG
(4-Benzo[1,3]dioxol-5-ylmethyl-2-(3-methoxy-benzyl)...)
Show SMILES COc1cccc(Cn2nc(c(Cc3ccc4OCOc4c3)c2C(O)=O)-c2ccccc2)c1
Show InChI InChI=1S/C26H22N2O5/c1-31-20-9-5-6-18(12-20)15-28-25(26(29)30)21(24(27-28)19-7-3-2-4-8-19)13-17-10-11-22-23(14-17)33-16-32-22/h2-12,14H,13,15-16H2,1H3,(H,29,30)
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n/an/a 40n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of [125-I] labelled ET-1 endothelin binding to Endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin receptor type B/1 receptor


(RAT)
BDBM50368647
PNG
(CHEMBL1788127)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC([O-])=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(C)=O)C(c1ccccc1)c1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C([O-])=O |r|
Show InChI InChI=1S/C50H65N7O10/c1-8-29(5)42(47(63)55-39(50(66)67)25-34-27-51-36-23-17-16-22-35(34)36)57-48(64)43(30(6)9-2)56-46(62)38(26-40(59)60)53-45(61)37(24-28(3)4)54-49(65)44(52-31(7)58)41(32-18-12-10-13-19-32)33-20-14-11-15-21-33/h10-23,27-30,37-39,41-44,51H,8-9,24-26H2,1-7H3,(H,52,58)(H,53,61)(H,54,65)(H,55,63)(H,56,62)(H,57,64)(H,59,60)(H,66,67)/p-2/t29-,30-,37-,38-,39-,42-,43-,44+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against Endothelin receptor from rat heart ventricle


J Med Chem 36: 2585-94 (1993)


BindingDB Entry DOI: 10.7270/Q2V69K6K
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50369268
PNG
(CHEMBL1790519)
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](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(=O)N(C)[C@H]([C@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C53H69N7O10/c1-9-30(5)45(52(68)60(8)47(31(6)10-2)51(67)58-42(53(69)70)26-35-28-54-39-22-16-15-19-36(35)39)59-49(65)41(27-43(62)63)56-48(64)40(25-29(3)4)57-50(66)46(55-32(7)61)44-37-20-13-11-17-33(37)23-24-34-18-12-14-21-38(34)44/h11-22,28-31,40-42,44-47,54H,9-10,23-27H2,1-8H3,(H,55,61)(H,56,64)(H,57,66)(H,58,67)(H,59,65)(H,62,63)(H,69,70)/t30-,31+,40-,41+,42-,45-,46+,47+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of binding to Endothelin B receptor of rat cerebellar membranes.


J Med Chem 40: 2228-40 (1997)


Article DOI: 10.1021/jm970161m
BindingDB Entry DOI: 10.7270/Q24T6K1W
More data for this
Ligand-Target Pair
Endothelin receptor type B


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



TBA

Curated by ChEMBL


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


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


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


(RAT)
BDBM50093985
PNG
(2-(6-Carboxy-4H-benzo[1,3]dioxin-8-ylmethyl)-4-(6-...)
Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1Cc1cc(cc2COCOc12)C(O)=O)-c1ccccc1
Show InChI InChI=1S/C28H21ClN2O8/c29-21-10-23-22(37-14-38-23)9-16(21)8-20-24(15-4-2-1-3-5-15)30-31(25(20)28(34)35)11-18-6-17(27(32)33)7-19-12-36-13-39-26(18)19/h1-7,9-10H,8,11-14H2,(H,32,33)(H,34,35)
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n/an/a 44n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50045244
PNG
((S)-3-[(S)-2-((R)-2-Acetylamino-3-phenyl-propionyl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C47H59N7O10/c1-6-27(3)40(45(61)52-38(47(63)64)24-32-26-48-34-21-15-14-20-33(32)34)54-46(62)41(28(4)7-2)53-44(60)37(25-39(56)57)51-43(59)36(23-31-18-12-9-13-19-31)50-42(58)35(49-29(5)55)22-30-16-10-8-11-17-30/h8-21,26-28,35-38,40-41,48H,6-7,22-25H2,1-5H3,(H,49,55)(H,50,58)(H,51,59)(H,52,61)(H,53,60)(H,54,62)(H,56,57)(H,63,64)/t27-,28-,35+,36-,37-,38-,40-,41-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


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


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


(RAT)
BDBM50032207
PNG
((S)-3-[(S)-2-((S)-2-Acetylamino-3,3-diphenyl-propi...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C49H63N7O10/c1-8-29(6)42(47(63)54-38(49(65)66)24-33-26-50-35-22-16-15-21-34(33)35)56-46(62)41(28(4)5)55-45(61)37(25-39(58)59)52-44(60)36(23-27(2)3)53-48(64)43(51-30(7)57)40(31-17-11-9-12-18-31)32-19-13-10-14-20-32/h9-22,26-29,36-38,40-43,50H,8,23-25H2,1-7H3,(H,51,57)(H,52,60)(H,53,64)(H,54,63)(H,55,61)(H,56,62)(H,58,59)(H,65,66)/t29-,36-,37-,38-,41-,42-,43-/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against endothelin B receptor rat cerebellar membranes.


J Med Chem 38: 2809-19 (1995)


BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50032171
PNG
((S)-4-((S)-2-Acetylamino-3,3-diphenyl-propionylami...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C49H61N7O12/c1-6-27(3)41(46(64)54-37(49(67)68)24-32-26-50-34-21-15-14-20-33(32)34)56-47(65)42(28(4)7-2)55-45(63)36(25-39(60)61)53-44(62)35(22-23-38(58)59)52-48(66)43(51-29(5)57)40(30-16-10-8-11-17-30)31-18-12-9-13-19-31/h8-21,26-28,35-37,40-43,50H,6-7,22-25H2,1-5H3,(H,51,57)(H,52,66)(H,53,62)(H,54,64)(H,55,63)(H,56,65)(H,58,59)(H,60,61)(H,67,68)/t27-,28-,35-,36-,37-,41-,42-,43-/m0/s1
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n/an/a 52n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against endothelin B receptor rat cerebellar membranes.


J Med Chem 38: 2809-19 (1995)


BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50032208
PNG
((S)-3-[(S)-2-((S)-2-Acetylamino-3,3-diphenyl-propi...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C53H63N7O10/c1-6-32(4)46(51(67)59-43(53(69)70)28-37-30-54-39-25-17-16-24-38(37)39)60-50(66)41(27-34-18-10-7-11-19-34)56-49(65)42(29-44(62)63)57-48(64)40(26-31(2)3)58-52(68)47(55-33(5)61)45(35-20-12-8-13-21-35)36-22-14-9-15-23-36/h7-25,30-32,40-43,45-47,54H,6,26-29H2,1-5H3,(H,55,61)(H,56,65)(H,57,64)(H,58,68)(H,59,67)(H,60,66)(H,62,63)(H,69,70)/t32-,40-,41-,42-,43-,46-,47-/m0/s1
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n/an/a 56n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against endothelin B receptor rat cerebellar membranes.


J Med Chem 38: 2809-19 (1995)


BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50045244
PNG
((S)-3-[(S)-2-((R)-2-Acetylamino-3-phenyl-propionyl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C47H59N7O10/c1-6-27(3)40(45(61)52-38(47(63)64)24-32-26-48-34-21-15-14-20-33(32)34)54-46(62)41(28(4)7-2)53-44(60)37(25-39(56)57)51-43(59)36(23-31-18-12-9-13-19-31)50-42(58)35(49-29(5)55)22-30-16-10-8-11-17-30/h8-21,26-28,35-38,40-41,48H,6-7,22-25H2,1-5H3,(H,49,55)(H,50,58)(H,51,59)(H,52,61)(H,53,60)(H,54,62)(H,56,57)(H,63,64)/t27-,28-,35+,36-,37-,38-,40-,41-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Effective concentration against Endothelin B receptor from rat cerebellum


J Med Chem 36: 2585-94 (1993)


BindingDB Entry DOI: 10.7270/Q2V69K6K
More data for this
Ligand-Target Pair
Endothelin receptor type B


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



TBA

Curated by ChEMBL


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


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


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