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PubMed code 11585441

Compile data set for download or QSAR
Found 70 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105035
PNG
(CHEMBL325511 | N-{5-Benzo[1,3]dioxol-5-yl-6-[2-(5-...)
Show SMILES CSc1cnc(OCCOc2ncnc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)c2-c2ccc3OCOc3c2)nc1
Show InChI InChI=1S/C28H29N5O6S2/c1-28(2,3)19-6-8-21(9-7-19)41(34,35)33-25-24(18-5-10-22-23(13-18)39-17-38-22)26(32-16-31-25)36-11-12-37-27-29-14-20(40-4)15-30-27/h5-10,13-16H,11-12,17H2,1-4H3,(H,31,32,33)
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n/an/a 0.00110n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50104997
PNG
(4-tert-Butyl-N-[6-[2-(5-methylsulfanyl-pyrimidin-2...)
Show SMILES CSc1cnc(OCCOc2ncnc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)c2-c2ccc(cc2)C(F)(F)F)nc1
Show InChI InChI=1S/C28H28F3N5O4S2/c1-27(2,3)19-9-11-22(12-10-19)42(37,38)36-24-23(18-5-7-20(8-6-18)28(29,30)31)25(35-17-34-24)39-13-14-40-26-32-15-21(41-4)16-33-26/h5-12,15-17H,13-14H2,1-4H3,(H,34,35,36)
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n/an/a 0.00170n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105034
PNG
(4-tert-Butyl-N-{6-[2-(5-methoxy-pyrimidin-2-yloxy)...)
Show SMILES COc1cnc(OCCOc2ncnc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)c2-c2ccc(C)cc2)nc1
Show InChI InChI=1S/C28H31N5O5S/c1-19-6-8-20(9-7-19)24-25(33-39(34,35)23-12-10-21(11-13-23)28(2,3)4)31-18-32-26(24)37-14-15-38-27-29-16-22(36-5)17-30-27/h6-13,16-18H,14-15H2,1-5H3,(H,31,32,33)
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n/an/a 0.00170n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
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 0.00390n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105047
PNG
(Acetic acid ethyl ester4-tert-Butyl-N-{5-(3,4-dime...)
Show SMILES COc1ccc(cc1OC)-c1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(SC)cn1
Show InChI InChI=1S/C29H33N5O6S2/c1-29(2,3)20-8-10-22(11-9-20)42(35,36)34-26-25(19-7-12-23(37-4)24(15-19)38-5)27(33-18-32-26)39-13-14-40-28-30-16-21(41-6)17-31-28/h7-12,15-18H,13-14H2,1-6H3,(H,32,33,34)
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n/an/a 0.00850n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50104986
PNG
(4-tert-Butyl-N-{5-(4-ethyl-phenyl)-6-[2-(5-methyls...)
Show SMILES CCc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(SC)cn1
Show InChI InChI=1S/C29H33N5O4S2/c1-6-20-7-9-21(10-8-20)25-26(34-40(35,36)24-13-11-22(12-14-24)29(2,3)4)32-19-33-27(25)37-15-16-38-28-30-17-23(39-5)18-31-28/h7-14,17-19H,6,15-16H2,1-5H3,(H,32,33,34)
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n/an/a 0.0130n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105040
PNG
(4-tert-Butyl-N-{5-(3-methoxy-phenoxy)-6-[2-(5-meth...)
Show SMILES COc1cccc(Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)ncnc2OCCOc2ncc(OC)cn2)c1
Show InChI InChI=1S/C28H31N5O7S/c1-28(2,3)19-9-11-23(12-10-19)41(34,35)33-25-24(40-21-8-6-7-20(15-21)36-4)26(32-18-31-25)38-13-14-39-27-29-16-22(37-5)17-30-27/h6-12,15-18H,13-14H2,1-5H3,(H,31,32,33)
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n/an/a 0.0150n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105026
PNG
(CHEMBL115724 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...)
Show SMILES COc1ccccc1Sc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(Br)cn1
Show InChI InChI=1S/C27H28BrN5O5S2/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 0.0180n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105025
PNG
(4-tert-Butyl-N-{5-(3-methoxy-phenyl)-6-[2-(5-methy...)
Show SMILES COc1cccc(c1)-c1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(SC)cn1
Show InChI InChI=1S/C28H31N5O5S2/c1-28(2,3)20-9-11-23(12-10-20)40(34,35)33-25-24(19-7-6-8-21(15-19)36-4)26(32-18-31-25)37-13-14-38-27-29-16-22(39-5)17-30-27/h6-12,15-18H,13-14H2,1-5H3,(H,31,32,33)
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n/an/a 0.0280n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50104988
PNG
(4-tert-Butyl-N-{6-[2-(5-pyridin-2-yl-pyrimidin-2-y...)
Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(cn1)-c1ccccn1
Show InChI InChI=1S/C32H32N6O4S/c1-22-8-10-23(11-9-22)28-29(38-43(39,40)26-14-12-25(13-15-26)32(2,3)4)36-21-37-30(28)41-17-18-42-31-34-19-24(20-35-31)27-7-5-6-16-33-27/h5-16,19-21H,17-18H2,1-4H3,(H,36,37,38)
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n/an/a 0.0360n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50104995
PNG
(CHEMBL369489 | sodium salt of N-{6-[2-(5-Bromo-pyr...)
Show SMILES Cc1ccc(cc1)-c1c([N-]S(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(Br)cn1
Show InChI InChI=1S/C27H27BrN5O4S/c1-18-5-7-19(8-6-18)23-24(33-38(34,35)22-11-9-20(10-12-22)27(2,3)4)31-17-32-25(23)36-13-14-37-26-29-15-21(28)16-30-26/h5-12,15-17H,13-14H2,1-4H3/q-1
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n/an/a 0.0390n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50104992
PNG
(CHEMBL114700 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...)
Show SMILES COc1cccc(Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)ncnc2OCCOc2ncc(Br)cn2)c1
Show InChI InChI=1S/C27H28BrN5O6S/c1-27(2,3)18-8-10-22(11-9-18)40(34,35)33-24-23(39-21-7-5-6-20(14-21)36-4)25(32-17-31-24)37-12-13-38-26-29-15-19(28)16-30-26/h5-11,14-17H,12-13H2,1-4H3,(H,31,32,33)
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n/an/a 0.0510n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50104991
PNG
(4-tert-Butyl-N-[6-[2-(5-chloro-pyrimidin-2-yloxy)-...)
Show SMILES COc1cccc(Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)ncnc2OCCOc2ncc(Cl)cn2)c1
Show InChI InChI=1S/C27H28ClN5O6S/c1-27(2,3)18-8-10-22(11-9-18)40(34,35)33-24-23(39-21-7-5-6-20(14-21)36-4)25(32-17-31-24)37-12-13-38-26-29-15-19(28)16-30-26/h5-11,14-17H,12-13H2,1-4H3,(H,31,32,33)
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n/an/a 0.0590n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50105027
PNG
(CHEMBL176272 | 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(Cl)cn1
Show InChI InChI=1S/C27H27ClN5O4S/c1-18-5-7-19(8-6-18)23-24(33-38(34,35)22-11-9-20(10-12-22)27(2,3)4)31-17-32-25(23)36-13-14-37-26-29-15-21(28)16-30-26/h5-12,15-17H,13-14H2,1-4H3/q-1
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n/an/a 0.0800n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105042
PNG
(4-tert-Butyl-N-{6-[2-(pyrimidin-2-yloxy)-ethoxy]-5...)
Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncccn1
Show InChI InChI=1S/C27H29N5O4S/c1-19-6-8-20(9-7-19)23-24(32-37(33,34)22-12-10-21(11-13-22)27(2,3)4)30-18-31-25(23)35-16-17-36-26-28-14-5-15-29-26/h5-15,18H,16-17H2,1-4H3,(H,30,31,32)
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n/an/a 0.110n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105029
PNG
(4-tert-Butyl-N-[6-[2-(5-methylsulfanyl-pyrimidin-2...)
Show SMILES CSc1cnc(OCCOc2ncnc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)c2-c2ccc(C)s2)nc1
Show InChI InChI=1S/C26H29N5O4S3/c1-17-6-11-21(37-17)22-23(31-38(32,33)20-9-7-18(8-10-20)26(2,3)4)29-16-30-24(22)34-12-13-35-25-27-14-19(36-5)15-28-25/h6-11,14-16H,12-13H2,1-5H3,(H,29,30,31)
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n/an/a 0.160n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105007
PNG
(CHEMBL177924 | N-{6-[2-(5-Bromo-pyrimidin-2-yloxy)...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(C)cc1
Show InChI InChI=1S/C26H26BrN5O4S/c1-17(2)19-8-10-22(11-9-19)37(33,34)32-24-23(20-6-4-18(3)5-7-20)25(31-16-30-24)35-12-13-36-26-28-14-21(27)15-29-26/h4-11,14-17H,12-13H2,1-3H3,(H,30,31,32)
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n/an/a 0.160n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
EDNRA


(RAT)
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 0.25n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50104984
PNG
(4-tert-Butyl-N-{6-[2-(5-methylsulfanyl-pyrimidin-2...)
Show SMILES CSc1cnc(OCCOc2ncnc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)c2-c2ccc3ccccc3c2)nc1
Show InChI InChI=1S/C31H31N5O4S2/c1-31(2,3)24-11-13-26(14-12-24)42(37,38)36-28-27(23-10-9-21-7-5-6-8-22(21)17-23)29(35-20-34-28)39-15-16-40-30-32-18-25(41-4)19-33-30/h5-14,17-20H,15-16H2,1-4H3,(H,34,35,36)
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n/an/a 0.290n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105003
PNG
(4-tert-Butyl-N-{5-(2-methoxy-phenoxy)-6-[2-(5-meth...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(SC)cn1
Show InChI InChI=1S/C28H31N5O6S2/c1-28(2,3)19-10-12-21(13-11-19)41(34,35)33-25-24(39-23-9-7-6-8-22(23)36-4)26(32-18-31-25)37-14-15-38-27-29-16-20(40-5)17-30-27/h6-13,16-18H,14-15H2,1-5H3,(H,31,32,33)
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n/an/a 0.370n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50104993
PNG
(CHEMBL177979 | sodium salt of 4-tert-Butyl-N-{6-[2...)
Show SMILES CSc1cnc(OCCOc2ncnc([N-]S(=O)(=O)c3ccc(cc3)C(C)(C)C)c2-c2ccc(C)cc2)nc1
Show InChI InChI=1S/C28H30N5O4S2/c1-19-6-8-20(9-7-19)24-25(33-39(34,35)23-12-10-21(11-13-23)28(2,3)4)31-18-32-26(24)36-14-15-37-27-29-16-22(38-5)17-30-27/h6-13,16-18H,14-15H2,1-5H3/q-1
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n/an/a 0.420n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50104982
PNG
(CHEMBL175501 | 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)-c1ccco1
Show InChI InChI=1S/C31H30N5O5S/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)40-16-17-41-30-32-18-23(19-33-30)26-6-5-15-39-26/h5-15,18-20H,16-17H2,1-4H3/q-1
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n/an/a 0.480n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50105011
PNG
(CHEMBL368796 | sodium salt of 4-tert-Butyl-N-{6-[2...)
Show SMILES COc1cnc(OCCOc2ncnc([N-]S(=O)(=O)c3ccc(cc3)C(C)(C)C)c2-c2ccc(C)cc2)nc1
Show InChI InChI=1S/C28H30N5O5S/c1-19-6-8-20(9-7-19)24-25(33-39(34,35)23-12-10-21(11-13-23)28(2,3)4)31-18-32-26(24)37-14-15-38-27-29-16-22(36-5)17-30-27/h6-13,16-18H,14-15H2,1-5H3/q-1
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n/an/a 0.560n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105041
PNG
(CHEMBL112162 | N-{6-[2-(5-Bromo-pyrimidin-2-yloxy)...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(C)cc1
Show InChI InChI=1S/C25H24BrN5O6S/c1-16-4-6-17(7-5-16)22-23(31-38(32,33)19-8-9-20(34-2)21(12-19)35-3)29-15-30-24(22)36-10-11-37-25-27-13-18(26)14-28-25/h4-9,12-15H,10-11H2,1-3H3,(H,29,30,31)
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n/an/a 0.640n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105019
PNG
(CHEMBL111934 | N-{6-[2-(5-Bromo-pyrimidin-2-yloxy)...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(C)cc1
Show InChI InChI=1S/C24H22BrN5O5S/c1-16-3-5-17(6-4-16)21-22(30-36(31,32)20-9-7-19(33-2)8-10-20)28-15-29-23(21)34-11-12-35-24-26-13-18(25)14-27-24/h3-10,13-15H,11-12H2,1-2H3,(H,28,29,30)
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n/an/a 0.760n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105002
PNG
(4-tert-Butyl-N-{5-(3-methoxy-phenoxy)-6-[2-(5-meth...)
Show SMILES COc1cccc(Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)ncnc2OCCOc2ncc(C)cn2)c1
Show InChI InChI=1S/C28H31N5O6S/c1-19-16-29-27(30-17-19)38-14-13-37-26-24(39-22-8-6-7-21(15-22)36-5)25(31-18-32-26)33-40(34,35)23-11-9-20(10-12-23)28(2,3)4/h6-12,15-18H,13-14H2,1-5H3,(H,31,32,33)
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n/an/a 0.860n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50104983
PNG
(4-tert-Butyl-N-{6-[2-(5-methylsulfanyl-pyrimidin-2...)
Show SMILES CSc1cnc(OCCOc2ncnc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)c2-c2cccs2)nc1
Show InChI InChI=1S/C25H27N5O4S3/c1-25(2,3)17-7-9-19(10-8-17)37(31,32)30-22-21(20-6-5-13-36-20)23(29-16-28-22)33-11-12-34-24-26-14-18(35-4)15-27-24/h5-10,13-16H,11-12H2,1-4H3,(H,28,29,30)
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n/an/a 0.890n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105046
PNG
(CHEMBL112134 | Naphthalene-2-sulfonic acid {6-[2-(...)
Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc3ccccc3c2)ncnc1OCCOc1ncc(Br)cn1
Show InChI InChI=1S/C27H22BrN5O4S/c1-18-6-8-20(9-7-18)24-25(33-38(34,35)23-11-10-19-4-2-3-5-21(19)14-23)31-17-32-26(24)36-12-13-37-27-29-15-22(28)16-30-27/h2-11,14-17H,12-13H2,1H3,(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 [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105014
PNG
(CHEMBL116220 | N-{6-[2-(5-Bromo-pyrimidin-2-yloxy)...)
Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc(I)cc2)ncnc1OCCOc1ncc(Br)cn1
Show InChI InChI=1S/C23H19BrIN5O4S/c1-15-2-4-16(5-3-15)20-21(30-35(31,32)19-8-6-18(25)7-9-19)28-14-29-22(20)33-10-11-34-23-26-12-17(24)13-27-23/h2-9,12-14H,10-11H2,1H3,(H,28,29,30)
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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 [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105038
PNG
(4-tert-Butyl-N-{5-(3-methoxy-phenoxy)-6-[2-(pyrimi...)
Show SMILES COc1cccc(Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)ncnc2OCCOc2ccncn2)c1
Show InChI InChI=1S/C27H29N5O6S/c1-27(2,3)19-8-10-22(11-9-19)39(33,34)32-25-24(38-21-7-5-6-20(16-21)35-4)26(31-18-30-25)37-15-14-36-23-12-13-28-17-29-23/h5-13,16-18H,14-15H2,1-4H3,(H,30,31,32)
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n/an/a 1.20n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105021
PNG
(4-tert-Butyl-N-{5-(4-isopropyl-phenyl)-6-[2-(5-met...)
Show SMILES CSc1cnc(OCCOc2ncnc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)c2-c2ccc(cc2)C(C)C)nc1
Show InChI InChI=1S/C30H35N5O4S2/c1-20(2)21-7-9-22(10-8-21)26-27(35-41(36,37)25-13-11-23(12-14-25)30(3,4)5)33-19-34-28(26)38-15-16-39-29-31-17-24(40-6)18-32-29/h7-14,17-20H,15-16H2,1-6H3,(H,33,34,35)
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n/an/a 1.20n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105032
PNG
(CHEMBL115017 | N-{6-[2-(5-Bromo-pyrimidin-2-yloxy)...)
Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)ncnc1OCCOc1ncc(Br)cn1
Show InChI InChI=1S/C24H19BrF3N5O4S/c1-15-2-4-16(5-3-15)20-21(33-38(34,35)19-8-6-17(7-9-19)24(26,27)28)31-14-32-22(20)36-10-11-37-23-29-12-18(25)13-30-23/h2-9,12-14H,10-11H2,1H3,(H,31,32,33)
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n/an/a 1.40n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50105000
PNG
(CHEMBL175616 | sodium salt of 4-tert-Butyl-N-[6-(2...)
Show SMILES COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCO)-c1ncccn1
Show InChI InChI=1S/C27H28N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3/q-1
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n/an/a 1.40n/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 A10 cell expressed in endothelin A receptor


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50104990
PNG
(4-tert-Butyl-N-{5-(3-methoxy-phenoxy)-6-[2-(pyrimi...)
Show SMILES COc1cccc(Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)ncnc2OCCOc2ncccn2)c1
Show InChI InChI=1S/C27H29N5O6S/c1-27(2,3)19-9-11-22(12-10-19)39(33,34)32-24-23(38-21-8-5-7-20(17-21)35-4)25(31-18-30-24)36-15-16-37-26-28-13-6-14-29-26/h5-14,17-18H,15-16H2,1-4H3,(H,30,31,32)
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n/an/a 1.90n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105043
PNG
(1,2,3,4-Tetrahydro-fluoren-9-one salt ofN-{6-[2-(5...)
Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc(Cl)cc2)ncnc1OCCOc1ncc(Br)cn1
Show InChI InChI=1S/C23H19BrClN5O4S/c1-15-2-4-16(5-3-15)20-21(30-35(31,32)19-8-6-18(25)7-9-19)28-14-29-22(20)33-10-11-34-23-26-12-17(24)13-27-23/h2-9,12-14H,10-11H2,1H3,(H,28,29,30)
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n/an/a 1.90n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50104996
PNG
(4-Bromo-N-{6-[2-(5-bromo-pyrimidin-2-yloxy)-ethoxy...)
Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc(Br)cc2)ncnc1OCCOc1ncc(Br)cn1
Show InChI InChI=1S/C23H19Br2N5O4S/c1-15-2-4-16(5-3-15)20-21(30-35(31,32)19-8-6-17(24)7-9-19)28-14-29-22(20)33-10-11-34-23-26-12-18(25)13-27-23/h2-9,12-14H,10-11H2,1H3,(H,28,29,30)
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n/an/a 2.80n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50104994
PNG
(4-tert-Butyl-N-{5-furan-2-yl-6-[2-(5-methylsulfany...)
Show SMILES CSc1cnc(OCCOc2ncnc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)c2-c2ccco2)nc1
Show InChI InChI=1S/C25H27N5O5S2/c1-25(2,3)17-7-9-19(10-8-17)37(31,32)30-22-21(20-6-5-11-33-20)23(29-16-28-22)34-12-13-35-24-26-14-18(36-4)15-27-24/h5-11,14-16H,12-13H2,1-4H3,(H,28,29,30)
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n/an/a 2.90n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50104999
PNG
(CHEMBL114683 | Thiophene-2-sulfonic acid {6-[2-(5-...)
Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)c2cccs2)ncnc1OCCOc1ncc(Br)cn1
Show InChI InChI=1S/C21H18BrN5O4S2/c1-14-4-6-15(7-5-14)18-19(27-33(28,29)17-3-2-10-32-17)25-13-26-20(18)30-8-9-31-21-23-11-16(22)12-24-21/h2-7,10-13H,8-9H2,1H3,(H,25,26,27)
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n/an/a 3.10n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105020
PNG
(5-Pyridin-2-yl-thiophene-2-sulfonic acid {6-[2-(5-...)
Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc(s2)-c2ccccn2)ncnc1OCCOc1ncc(Br)cn1
Show InChI InChI=1S/C26H21BrN6O4S2/c1-17-5-7-18(8-6-17)23-24(31-16-32-25(23)36-12-13-37-26-29-14-19(27)15-30-26)33-39(34,35)22-10-9-21(38-22)20-4-2-3-11-28-20/h2-11,14-16H,12-13H2,1H3,(H,31,32,33)
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n/an/a 3.40n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
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)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105045
PNG
(4-tert-Butyl-N-{5-(3-methoxy-phenoxy)-6-[2-(pyrimi...)
Show SMILES COc1cccc(Oc2c(NCCOc3ncccn3)ncnc2NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c1
Show InChI InChI=1S/C27H30N6O5S/c1-27(2,3)19-9-11-22(12-10-19)39(34,35)33-25-23(38-21-8-5-7-20(17-21)36-4)24(31-18-32-25)28-15-16-37-26-29-13-6-14-30-26/h5-14,17-18H,15-16H2,1-4H3,(H2,28,31,32,33)
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n/an/a 6.20n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50104982
PNG
(CHEMBL175501 | 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)-c1ccco1
Show InChI InChI=1S/C31H30N5O5S/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)40-16-17-41-30-32-18-23(19-33-30)26-6-5-15-39-26/h5-15,18-20H,16-17H2,1-4H3/q-1
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n/an/a 7n/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)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105000
PNG
(CHEMBL175616 | sodium salt of 4-tert-Butyl-N-[6-(2...)
Show SMILES COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCO)-c1ncccn1
Show InChI InChI=1S/C27H28N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3/q-1
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n/an/a 7.5n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105037
PNG
(4-tert-Butyl-N-{5-(3-methoxy-phenoxy)-6-[2-(pyridi...)
Show SMILES COc1cccc(Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)ncnc2OCCOc2ccccn2)c1
Show InChI InChI=1S/C28H30N4O6S/c1-28(2,3)20-11-13-23(14-12-20)39(33,34)32-26-25(38-22-9-7-8-21(18-22)35-4)27(31-19-30-26)37-17-16-36-24-10-5-6-15-29-24/h5-15,18-19H,16-17H2,1-4H3,(H,30,31,32)
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n/an/a 8.80n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105016
PNG
(4-tert-Butyl-N-{6-[2-(5-methylsulfanyl-pyrimidin-2...)
Show SMILES CSc1cnc(OCCOc2ncnc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)c2-c2ccncc2)nc1
Show InChI InChI=1S/C26H28N6O4S2/c1-26(2,3)19-5-7-21(8-6-19)38(33,34)32-23-22(18-9-11-27-12-10-18)24(31-17-30-23)35-13-14-36-25-28-15-20(37-4)16-29-25/h5-12,15-17H,13-14H2,1-4H3,(H,30,31,32)
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n/an/a 9.90n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105001
PNG
(4-tert-Butyl-N-{5-(3-methoxy-phenoxy)-6-[2-(thiazo...)
Show SMILES COc1cccc(Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)ncnc2OCCOc2nccs2)c1
Show InChI InChI=1S/C26H28N4O6S2/c1-26(2,3)18-8-10-21(11-9-18)38(31,32)30-23-22(36-20-7-5-6-19(16-20)33-4)24(29-17-28-23)34-13-14-35-25-27-12-15-37-25/h5-12,15-17H,13-14H2,1-4H3,(H,28,29,30)
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n/an/a 12n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105012
PNG
(4-tert-Butyl-N-{5-(3-methoxy-phenoxy)-6-[2-(quinol...)
Show SMILES COc1cccc(Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)ncnc2OCCOc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C32H32N4O6S/c1-32(2,3)23-13-15-26(16-14-23)43(37,38)36-30-29(42-25-10-7-9-24(20-25)39-4)31(34-21-33-30)41-19-18-40-28-17-12-22-8-5-6-11-27(22)35-28/h5-17,20-21H,18-19H2,1-4H3,(H,33,34,36)
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n/an/a 15.2n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105030
PNG
(CHEMBL177373 | Naphthalene-1-sulfonic acid {6-[2-(...)
Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)c2cccc3ccccc23)ncnc1OCCOc1ncc(Br)cn1
Show InChI InChI=1S/C27H22BrN5O4S/c1-18-9-11-20(12-10-18)24-25(33-38(34,35)23-8-4-6-19-5-2-3-7-22(19)23)31-17-32-26(24)36-13-14-37-27-29-15-21(28)16-30-27/h2-12,15-17H,13-14H2,1H3,(H,31,32,33)
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n/an/a 22n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105018
PNG
(4-tert-Butyl-N-{5-(3-methoxy-phenoxy)-6-[2-(pyrazi...)
Show SMILES COc1cccc(Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)ncnc2OCCOc2cnccn2)c1
Show InChI InChI=1S/C27H29N5O6S/c1-27(2,3)19-8-10-22(11-9-19)39(33,34)32-25-24(38-21-7-5-6-20(16-21)35-4)26(31-18-30-25)37-15-14-36-23-17-28-12-13-29-23/h5-13,16-18H,14-15H2,1-4H3,(H,30,31,32)
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n/an/a 24.5n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105044
PNG
(4-tert-Butyl-N-{5-(3-methoxy-phenoxy)-6-[2-(pyrimi...)
Show SMILES COc1cccc(Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)ncnc2SCCOc2ncccn2)c1
Show InChI InChI=1S/C27H29N5O5S2/c1-27(2,3)19-9-11-22(12-10-19)39(33,34)32-24-23(37-21-8-5-7-20(17-21)35-4)25(31-18-30-24)38-16-15-36-26-28-13-6-14-29-26/h5-14,17-18H,15-16H2,1-4H3,(H,30,31,32)
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n/an/a 25.8n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50105027
PNG
(CHEMBL176272 | 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(Cl)cn1
Show InChI InChI=1S/C27H27ClN5O4S/c1-18-5-7-19(8-6-18)23-24(33-38(34,35)22-11-9-20(10-12-22)27(2,3)4)31-17-32-25(23)36-13-14-37-26-29-15-21(28)16-30-26/h5-12,15-17H,13-14H2,1-4H3/q-1
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n/an/a 28n/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)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50104995
PNG
(CHEMBL369489 | sodium salt of N-{6-[2-(5-Bromo-pyr...)
Show SMILES Cc1ccc(cc1)-c1c([N-]S(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(Br)cn1
Show InChI InChI=1S/C27H27BrN5O4S/c1-18-5-7-19(8-6-18)23-24(33-38(34,35)22-11-9-20(10-12-22)27(2,3)4)31-17-32-25(23)36-13-14-37-26-29-15-21(28)16-30-26/h5-12,15-17H,13-14H2,1-4H3/q-1
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n/an/a 38n/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)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105050
PNG
(4-tert-Butyl-N-{5-(3-methoxy-phenoxy)-6-[2-(4-meth...)
Show SMILES COc1cccc(Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)ncnc2OCCOc2nccc(C)n2)c1
Show InChI InChI=1S/C28H31N5O6S/c1-19-13-14-29-27(32-19)38-16-15-37-26-24(39-22-8-6-7-21(17-22)36-5)25(30-18-31-26)33-40(34,35)23-11-9-20(10-12-23)28(2,3)4/h6-14,17-18H,15-16H2,1-5H3,(H,30,31,33)
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n/an/a 39.4n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105017
PNG
(4-tert-Butyl-N-{5-(3-methoxy-phenoxy)-6-[2-(quinox...)
Show SMILES COc1cccc(Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)ncnc2OCCOc2cnc3ccccc3n2)c1
Show InChI InChI=1S/C31H31N5O6S/c1-31(2,3)21-12-14-24(15-13-21)43(37,38)36-29-28(42-23-9-7-8-22(18-23)39-4)30(34-20-33-29)41-17-16-40-27-19-32-25-10-5-6-11-26(25)35-27/h5-15,18-20H,16-17H2,1-4H3,(H,33,34,36)
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n/an/a 45.4n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50104985
PNG
(4-tert-Butyl-N-{5-(3-methoxy-phenoxy)-6-[2-(pyrida...)
Show SMILES COc1cccc(Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)ncnc2OCCOc2cccnn2)c1
Show InChI InChI=1S/C27H29N5O6S/c1-27(2,3)19-10-12-22(13-11-19)39(33,34)32-25-24(38-21-8-5-7-20(17-21)35-4)26(29-18-28-25)37-16-15-36-23-9-6-14-30-31-23/h5-14,17-18H,15-16H2,1-4H3,(H,28,29,32)
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n/an/a 51.4n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105022
PNG
(4-tert-Butyl-N-[5-(3-methoxy-phenoxy)-6-(2-phenoxy...)
Show SMILES COc1cccc(Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)ncnc2OCCOc2ccccc2)c1
Show InChI InChI=1S/C29H31N3O6S/c1-29(2,3)21-13-15-25(16-14-21)39(33,34)32-27-26(38-24-12-8-11-23(19-24)35-4)28(31-20-30-27)37-18-17-36-22-9-6-5-7-10-22/h5-16,19-20H,17-18H2,1-4H3,(H,30,31,32)
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n/an/a 65n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105023
PNG
(4-tert-Butyl-N-[6-(2-methoxy-ethoxy)-5-(3-methoxy-...)
Show SMILES COCCOc1ncnc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c1Oc1cccc(OC)c1
Show InChI InChI=1S/C24H29N3O6S/c1-24(2,3)17-9-11-20(12-10-17)34(28,29)27-22-21(23(26-16-25-22)32-14-13-30-4)33-19-8-6-7-18(15-19)31-5/h6-12,15-16H,13-14H2,1-5H3,(H,25,26,27)
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n/an/a 92n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50104989
PNG
(4-tert-Butyl-N-{5-(3-methoxy-phenoxy)-6-[3-(5-meth...)
Show SMILES COc1cccc(Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)ncnc2OCCCOc2ncc(C)cn2)c1
Show InChI InChI=1S/C29H33N5O6S/c1-20-17-30-28(31-18-20)39-15-7-14-38-27-25(40-23-9-6-8-22(16-23)37-5)26(32-19-33-27)34-41(35,36)24-12-10-21(11-13-24)29(2,3)4/h6,8-13,16-19H,7,14-15H2,1-5H3,(H,32,33,34)
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n/an/a 93.5n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105031
PNG
(4-tert-Butyl-N-[6-(2-hydroxy-ethoxy)-5-p-tolyl-pyr...)
Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCO
Show InChI InChI=1S/C23H27N3O4S/c1-16-5-7-17(8-6-16)20-21(24-15-25-22(20)30-14-13-27)26-31(28,29)19-11-9-18(10-12-19)23(2,3)4/h5-12,15,27H,13-14H2,1-4H3,(H,24,25,26)
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n/an/a>100n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105005
PNG
(4-tert-Butyl-N-{5-(3-methoxy-phenoxy)-6-[2-(pyrimi...)
Show SMILES COc1cccc(Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)ncnc2OCCNc2ncccn2)c1
Show InChI InChI=1S/C27H30N6O5S/c1-27(2,3)19-9-11-22(12-10-19)39(34,35)33-24-23(38-21-8-5-7-20(17-21)36-4)25(32-18-31-24)37-16-15-30-26-28-13-6-14-29-26/h5-14,17-18H,15-16H2,1-4H3,(H,28,29,30)(H,31,32,33)
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n/an/a>100n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105010
PNG
(4-tert-Butyl-N-{5-(3-methoxy-phenoxy)-6-[2-(4-meth...)
Show SMILES COc1cccc(Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)ncnc2OCCOc2nccc(OC)n2)c1
Show InChI InChI=1S/C28H31N5O7S/c1-28(2,3)19-9-11-22(12-10-19)41(34,35)33-25-24(40-21-8-6-7-20(17-21)36-4)26(31-18-30-25)38-15-16-39-27-29-14-13-23(32-27)37-5/h6-14,17-18H,15-16H2,1-5H3,(H,30,31,33)
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n/an/a>100n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105008
PNG
(4-tert-Butyl-N-[6-[2-(isoquinolin-1-yloxy)-ethoxy]...)
Show SMILES COc1cccc(Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)ncnc2OCCOc2nccc3ccccc23)c1
Show InChI InChI=1S/C32H32N4O6S/c1-32(2,3)23-12-14-26(15-13-23)43(37,38)36-29-28(42-25-10-7-9-24(20-25)39-4)31(35-21-34-29)41-19-18-40-30-27-11-6-5-8-22(27)16-17-33-30/h5-17,20-21H,18-19H2,1-4H3,(H,34,35,36)
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n/an/a>100n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105028
PNG
(4-tert-Butyl-N-[5-(3-methoxy-phenoxy)-6-(3-pyrimid...)
Show SMILES COc1cccc(Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)ncnc2OCCCc2ncccn2)c1
Show InChI InChI=1S/C28H31N5O5S/c1-28(2,3)20-11-13-23(14-12-20)39(34,35)33-26-25(38-22-9-5-8-21(18-22)36-4)27(32-19-31-26)37-17-6-10-24-29-15-7-16-30-24/h5,7-9,11-16,18-19H,6,10,17H2,1-4H3,(H,31,32,33)
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n/an/a>100n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105015
PNG
(4-(4-tert-Butyl-pyrimidin-1-yl)-N-(2-hydroxy-ethox...)
Show SMILES COc1cccc(Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)ncnc2OCCO)c1
Show InChI InChI=1S/C23H27N3O6S/c1-23(2,3)16-8-10-19(11-9-16)33(28,29)26-21-20(22(25-15-24-21)31-13-12-27)32-18-7-5-6-17(14-18)30-4/h5-11,14-15,27H,12-13H2,1-4H3,(H,24,25,26)
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n/an/a 160n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50105006
PNG
(CHEMBL321226 | N-[6-(2-Benzyloxy-ethoxy)-5-(3-meth...)
Show SMILES COc1cccc(Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)ncnc2OCCOCc2ccccc2)c1
Show InChI InChI=1S/C30H33N3O6S/c1-30(2,3)23-13-15-26(16-14-23)40(34,35)33-28-27(39-25-12-8-11-24(19-25)36-4)29(32-21-31-28)38-18-17-37-20-22-9-6-5-7-10-22/h5-16,19,21H,17-18,20H2,1-4H3,(H,31,32,33)
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n/an/a 170n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50104993
PNG
(CHEMBL177979 | sodium salt of 4-tert-Butyl-N-{6-[2...)
Show SMILES CSc1cnc(OCCOc2ncnc([N-]S(=O)(=O)c3ccc(cc3)C(C)(C)C)c2-c2ccc(C)cc2)nc1
Show InChI InChI=1S/C28H30N5O4S2/c1-19-6-8-20(9-7-19)24-25(33-39(34,35)23-12-10-21(11-13-23)28(2,3)4)31-18-32-26(24)36-14-15-37-27-29-16-22(38-5)17-30-27/h6-13,16-18H,14-15H2,1-5H3/q-1
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n/an/a 220n/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)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50105015
PNG
(4-(4-tert-Butyl-pyrimidin-1-yl)-N-(2-hydroxy-ethox...)
Show SMILES COc1cccc(Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)ncnc2OCCO)c1
Show InChI InChI=1S/C23H27N3O6S/c1-23(2,3)16-8-10-19(11-9-16)33(28,29)26-21-20(22(25-15-24-21)31-13-12-27)32-18-7-5-6-17(14-18)30-4/h5-11,14-15,27H,12-13H2,1-4H3,(H,24,25,26)
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n/an/a 230n/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 A10 cell expressed in endothelin A receptor


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50105011
PNG
(CHEMBL368796 | sodium salt of 4-tert-Butyl-N-{6-[2...)
Show SMILES COc1cnc(OCCOc2ncnc([N-]S(=O)(=O)c3ccc(cc3)C(C)(C)C)c2-c2ccc(C)cc2)nc1
Show InChI InChI=1S/C28H30N5O5S/c1-19-6-8-20(9-7-19)24-25(33-39(34,35)23-12-10-21(11-13-23)28(2,3)4)31-18-32-26(24)37-14-15-38-27-29-16-22(36-5)17-30-27/h6-13,16-18H,14-15H2,1-5H3/q-1
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n/an/a 240n/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)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50105000
PNG
(CHEMBL175616 | sodium salt of 4-tert-Butyl-N-[6-(2...)
Show SMILES COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCO)-c1ncccn1
Show InChI InChI=1S/C27H28N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3/q-1
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n/an/a 310n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit specific binding of [125I]- -ET-1 to human GH cells which express endothelin B receptor


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50105015
PNG
(4-(4-tert-Butyl-pyrimidin-1-yl)-N-(2-hydroxy-ethox...)
Show SMILES COc1cccc(Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)ncnc2OCCO)c1
Show InChI InChI=1S/C23H27N3O6S/c1-23(2,3)16-8-10-19(11-9-16)33(28,29)26-21-20(22(25-15-24-21)31-13-12-27)32-18-7-5-6-17(14-18)30-4/h5-11,14-15,27H,12-13H2,1-4H3,(H,24,25,26)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit specific binding of [125I]- -ET-1 to human GH cells which express endothelin B receptor


J Med Chem 44: 3355-68 (2001)


Article DOI: 10.1021/jm0102304
BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%