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40 similar compounds to monomer 50105009

Compile data set for download or QSAR
Wt: 640.5
BDBM50107554
Wt: 584.6
BDBM50104982
Wt: 601.7
BDBM50104984
Wt: 579.7
BDBM50104986
Wt: 600.7
BDBM50104987
Wt: 596.6
BDBM50104988
Wt: 564.6
BDBM50104993
Wt: 597.5
BDBM50104995
Wt: 621.3
BDBM50104996
Wt: 619.6
BDBM50104997
Wt: 584.4
BDBM50105007
Wt: 548.6
BDBM50105011
Wt: 668.3
BDBM50105014
Wt: 572.4
BDBM50105019
Wt: 593.7
BDBM50105021
Displayed 1 to 15 (of 40 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50107554,50104982,50104984,50104986,50104987,50104988,50104993,50104995,50104996,50104997,50105007,50105011,50105014,50105019,50105021   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
EDNRB


(Homo sapiens (Human))
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)
BDBM50107554
PNG
(CHEMBL424358 | N-{6-[2-(5-Bromo-pyrimidin-2-yloxy)...)
Show SMILES CC(C)c1nc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c(c(OCCOc2ncc(Br)cn2)n1)-c1ccc(C)cc1
Show InChI InChI=1S/C30H34BrN5O4S/c1-19(2)26-34-27(36-41(37,38)24-13-11-22(12-14-24)30(4,5)6)25(21-9-7-20(3)8-10-21)28(35-26)39-15-16-40-29-32-17-23(31)18-33-29/h7-14,17-19H,15-16H2,1-6H3,(H,34,35,36)
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n/an/a 1.10n/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 A receptor in porcine aortic membrane.


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


Article DOI: 10.1016/s0960-894x(01)00682-5
BindingDB Entry DOI: 10.7270/Q2VX0FSC
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
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)
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)
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
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
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
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)
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)
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)
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
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
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
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)
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)
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)
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
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)
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