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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 341.2
BDBM50003284
Wt: 306.7
BDBM50003290
Wt: 384.4
BDBM50005347
Wt: 376.8
BDBM50010152
Wt: 376.8
BDBM50010154
Wt: 362.4
BDBM50042233
Wt: 385.5
BDBM50042242
Purchase
Wt: 378.4
BDBM50042244
Wt: 376.4
BDBM50042265
Wt: 348.3
BDBM50042268
Wt: 380.4
BDBM50046086
Wt: 351.3
BDBM50044372
Wt: 375.4
BDBM50044350
Wt: 386.4
BDBM50145975
Wt: 385.4
BDBM50145987
Displayed 1 to 15 (of 426 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 28 hits in this display   
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
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50145987
PNG
(4'-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-y...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C24H23N3O2/c1-4-21-26-22-15(2)13-16(3)25-23(22)27(21)14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)24(28)29/h5-13H,4,14H2,1-3H3,(H,28,29)
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n/an/a 3.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of the specific binding ligand [125I]-Sar1,Ile8-AII from Angiotensin II receptor, type 1 in rabbit aorta membrane.


Bioorg Med Chem Lett 4: 41-44 (1994)


Article DOI: 10.1016/S0960-894X(01)81119-7
BindingDB Entry DOI: 10.7270/Q2X92B6P
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50145987
PNG
(4'-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-y...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C24H23N3O2/c1-4-21-26-22-15(2)13-16(3)25-23(22)27(21)14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)24(28)29/h5-13H,4,14H2,1-3H3,(H,28,29)
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n/an/a 10n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity for rat angiotensin II receptor, type 1


J Med Chem 47: 2574-86 (2004)


Article DOI: 10.1021/jm031100t
BindingDB Entry DOI: 10.7270/Q25X28DX
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50042244
PNG
(4'-(2-Butyl-4,4-dimethyl-5-oxo-4,5-dihydro-imidazo...)
Show SMILES CCCCC1=NC(C)(C)C(=O)N1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C23H26N2O3/c1-4-5-10-20-24-23(2,3)22(28)25(20)15-16-11-13-17(14-12-16)18-8-6-7-9-19(18)21(26)27/h6-9,11-14H,4-5,10,15H2,1-3H3,(H,26,27)
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n/an/a 35n/an/an/an/an/an/a



Sanofi Recherche

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 measured by ability to displace [125I]- A II from its specific binding site in rat liver membran...


J Med Chem 36: 3371-80 (1993)


Article DOI: 10.1021/jm00074a018
BindingDB Entry DOI: 10.7270/Q22Z14M0
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50042244
PNG
(4'-(2-Butyl-4,4-dimethyl-5-oxo-4,5-dihydro-imidazo...)
Show SMILES CCCCC1=NC(C)(C)C(=O)N1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C23H26N2O3/c1-4-5-10-20-24-23(2,3)22(28)25(20)15-16-11-13-17(14-12-16)18-8-6-7-9-19(18)21(26)27/h6-9,11-14H,4-5,10,15H2,1-3H3,(H,26,27)
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n/an/a 35n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity at Angiotensin II receptor, type 1 from rat liver membrane by [125I]- A II displacement.


Bioorg Med Chem Lett 4: 163-168 (1994)


Article DOI: 10.1016/S0960-894X(01)81140-9
BindingDB Entry DOI: 10.7270/Q2M045CQ
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50044350
PNG
(5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCc1n[nH]c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C20H21N7O/c1-2-3-8-18-21-24-20(28)27(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)19-22-25-26-23-19/h4-7,9-12H,2-3,8,13H2,1H3,(H,24,28)(H,22,23,25,26)
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n/an/a 42n/an/an/an/an/an/a



Searle R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-angiotensin-II binding to the angiotensin II receptor type 1 in rat uterine membranes


J Med Chem 36: 2172-81 (1993)


Article DOI: 10.1021/jm00067a015
BindingDB Entry DOI: 10.7270/Q2C53JXM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50044350
PNG
(5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCc1n[nH]c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C20H21N7O/c1-2-3-8-18-21-24-20(28)27(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)19-22-25-26-23-19/h4-7,9-12H,2-3,8,13H2,1H3,(H,24,28)(H,22,23,25,26)
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n/an/a 60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonistic activity for angiotensin II receptor, type 1 by displacing 125I[Sar, ILe8 ]AII radioligand in rabbit aorta membrane without usi...


J Med Chem 36: 2558-68 (1993)


Article DOI: 10.1021/jm00069a015
BindingDB Entry DOI: 10.7270/Q2KP817C
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50042242
PNG
(4'-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-y...)
Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1C#N
Show InChI InChI=1S/C25H27N3O/c1-2-3-10-23-27-25(15-6-7-16-25)24(29)28(23)18-19-11-13-20(14-12-19)22-9-5-4-8-21(22)17-26/h4-5,8-9,11-14H,2-3,6-7,10,15-16,18H2,1H3
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n/an/a 82.5n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of human serum AChE by Ellman colorimetric assay


Bioorg Med Chem 15: 7391-8 (2007)


Article DOI: 10.1016/j.bmc.2007.07.014
BindingDB Entry DOI: 10.7270/Q2FB53R3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50042242
PNG
(4'-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-y...)
Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1C#N
Show InChI InChI=1S/C25H27N3O/c1-2-3-10-23-27-25(15-6-7-16-25)24(29)28(23)18-19-11-13-20(14-12-19)22-9-5-4-8-21(22)17-26/h4-5,8-9,11-14H,2-3,6-7,10,15-16,18H2,1H3
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n/an/a 90n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman colorimetric assay


Bioorg Med Chem 15: 7391-8 (2007)


Article DOI: 10.1016/j.bmc.2007.07.014
BindingDB Entry DOI: 10.7270/Q2FB53R3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50042242
PNG
(4'-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-y...)
Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1C#N
Show InChI InChI=1S/C25H27N3O/c1-2-3-10-23-27-25(15-6-7-16-25)24(29)28(23)18-19-11-13-20(14-12-19)22-9-5-4-8-21(22)17-26/h4-5,8-9,11-14H,2-3,6-7,10,15-16,18H2,1H3
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n/an/a 90n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat brain AChE by Ellman colorimetric assay


Bioorg Med Chem 15: 7391-8 (2007)


Article DOI: 10.1016/j.bmc.2007.07.014
BindingDB Entry DOI: 10.7270/Q2FB53R3
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50042265
PNG
(4'-(5-Butyl-7-oxo-4,6-diaza-spiro[2.4]hept-4-en-6-...)
Show SMILES CCCCC1=NC2(CC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C23H24N2O3/c1-2-3-8-20-24-23(13-14-23)22(28)25(20)15-16-9-11-17(12-10-16)18-6-4-5-7-19(18)21(26)27/h4-7,9-12H,2-3,8,13-15H2,1H3,(H,26,27)
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n/an/a 260n/an/an/an/an/an/a



Sanofi Recherche

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 measured by ability to displace [125I]- A II from its specific binding site in rat liver membran...


J Med Chem 36: 3371-80 (1993)


Article DOI: 10.1021/jm00074a018
BindingDB Entry DOI: 10.7270/Q22Z14M0
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50046086
PNG
(CHEMBL12737 | {2-Butyl-5-chloro-3-[2'-(2H-tetrazol...)
Show SMILES CCCCc1nc(CCCC)n(Cc2ccc(cc2)-n2cccc2C(O)=O)n1
Show InChI InChI=1S/C22H28N4O2/c1-3-5-9-20-23-21(10-6-4-2)26(24-20)16-17-11-13-18(14-12-17)25-15-7-8-19(25)22(27)28/h7-8,11-15H,3-6,9-10,16H2,1-2H3,(H,27,28)
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n/an/a 270n/an/an/an/an/an/a



Searle & Company

Curated by ChEMBL


Assay Description
Activity against high affinity Angiotensin II receptor, type 1 was measured from the ability to inhibit [125I]-angiotensin II binding to rat uterine ...


J Med Chem 36: 101-10 (1993)


Article DOI: 10.1021/jm00053a013
BindingDB Entry DOI: 10.7270/Q2KH0MDW
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50005347
PNG
(4'-((2-butyl-1H-benzo[d]imidazol-1-yl)methyl)biphe...)
Show SMILES CCCCc1nc2ccccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C25H24N2O2/c1-2-3-12-24-26-22-10-6-7-11-23(22)27(24)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25(28)29/h4-11,13-16H,2-3,12,17H2,1H3,(H,28,29)
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n/an/a 400n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]-angiotensin-II to angiotensin 1 receptor in rat lung membrane preparation


J Med Chem 36: 4040-51 (1994)


Article DOI: 10.1021/jm00077a007
BindingDB Entry DOI: 10.7270/Q2V98746
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50042242
PNG
(4'-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-y...)
Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1C#N
Show InChI InChI=1S/C25H27N3O/c1-2-3-10-23-27-25(15-6-7-16-25)24(29)28(23)18-19-11-13-20(14-12-19)22-9-5-4-8-21(22)17-26/h4-5,8-9,11-14H,2-3,6-7,10,15-16,18H2,1H3
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n/an/a 440n/an/an/an/an/an/a



Sanofi Recherche

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 measured by ability to displace [125I]- A II from its specific binding site in rat liver membran...


J Med Chem 36: 3371-80 (1993)


Article DOI: 10.1021/jm00074a018
BindingDB Entry DOI: 10.7270/Q22Z14M0
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50145975
PNG
(2-[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ncccc1C(O)=O
Show InChI InChI=1S/C23H22N4O2/c1-4-19-26-20-14(2)12-15(3)25-22(20)27(19)13-16-7-9-17(10-8-16)21-18(23(28)29)6-5-11-24-21/h5-12H,4,13H2,1-3H3,(H,28,29)
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n/an/a 819n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity for rat angiotensin II receptor, type 1


J Med Chem 47: 2574-86 (2004)


Article DOI: 10.1021/jm031100t
BindingDB Entry DOI: 10.7270/Q25X28DX
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50010154
PNG
(6-(2-Butyl-5-chloro-4-hydroxymethyl-imidazol-1-ylm...)
Show SMILES CCCCc1nc(CO)c(Cl)n1Cc1ccc2CC(CCc2c1)C(O)=O
Show InChI InChI=1S/C20H25ClN2O3/c1-2-3-4-18-22-17(12-24)19(21)23(18)11-13-5-6-15-10-16(20(25)26)8-7-14(15)9-13/h5-6,9,16,24H,2-4,7-8,10-12H2,1H3,(H,25,26)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Ciba Geigy Limited

Curated by ChEMBL


Assay Description
Binding affinity against angiotensin II receptor in rat smooth muscle cell preparations


J Med Chem 34: 3105-14 (1991)


Article DOI: 10.1021/jm00114a021
BindingDB Entry DOI: 10.7270/Q27S7MRP
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50044372
PNG
(4'-(3-Butyl-5-oxo-1,5-dihydro-[1,2,4]triazol-4-ylm...)
Show SMILES CCCCc1n[nH]c(=O)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C20H21N3O3/c1-2-3-8-18-21-22-20(26)23(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)19(24)25/h4-7,9-12H,2-3,8,13H2,1H3,(H,22,26)(H,24,25)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Searle R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-angiotensin-II binding to the angiotensin II receptor type 1 in rat uterine membranes


J Med Chem 36: 2172-81 (1993)


Article DOI: 10.1021/jm00067a015
BindingDB Entry DOI: 10.7270/Q2C53JXM
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human)-HUMAN)
BDBM50005347
PNG
(4'-((2-butyl-1H-benzo[d]imidazol-1-yl)methyl)biphe...)
Show SMILES CCCCc1nc2ccccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C25H24N2O2/c1-2-3-12-24-26-22-10-6-7-11-23(22)27(24)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25(28)29/h4-11,13-16H,2-3,12,17H2,1H3,(H,28,29)
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n/an/a 2.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for 50% displacement of the specifically bound [3-[125I]-iodotyrosyl]-angiotensin II from angiotensin II receptor in the membr...


Citation and Details

Article DOI: 10.1021/jm00083a011
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human)-HUMAN)
BDBM50005347
PNG
(4'-((2-butyl-1H-benzo[d]imidazol-1-yl)methyl)biphe...)
Show SMILES CCCCc1nc2ccccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C25H24N2O2/c1-2-3-12-24-26-22-10-6-7-11-23(22)27(24)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25(28)29/h4-11,13-16H,2-3,12,17H2,1H3,(H,28,29)
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n/an/a 2.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of monoiodinated angiotensin II from guinea-pig adrenal gland angiotensin II receptor


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50042233
PNG
(4'-(2-Methyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-...)
Show SMILES CC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C22H22N2O3/c1-15-23-22(12-4-5-13-22)21(27)24(15)14-16-8-10-17(11-9-16)18-6-2-3-7-19(18)20(25)26/h2-3,6-11H,4-5,12-14H2,1H3,(H,25,26)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Sanofi Recherche

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 measured by ability to displace [125I]- A II from its specific binding site in rat liver membran...


J Med Chem 36: 3371-80 (1993)


Article DOI: 10.1021/jm00074a018
BindingDB Entry DOI: 10.7270/Q22Z14M0
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50010152
PNG
(6-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-ylm...)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc2CC(CCc2c1)C(O)=O
Show InChI InChI=1S/C20H25ClN2O3/c1-2-3-4-18-22-19(21)17(12-24)23(18)11-13-5-6-15-10-16(20(25)26)8-7-14(15)9-13/h5-6,9,16,24H,2-4,7-8,10-12H2,1H3,(H,25,26)
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n/an/a 8.90E+3n/an/an/an/an/an/a



Ciba Geigy Limited

Curated by ChEMBL


Assay Description
Binding affinity against angiotensin II receptor in rat smooth muscle cell preparations


J Med Chem 34: 3105-14 (1991)


Article DOI: 10.1021/jm00114a021
BindingDB Entry DOI: 10.7270/Q27S7MRP
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50042268
PNG
(4'-(4-Oxo-1,3-diaza-spiro[4.4]non-1-en-3-ylmethyl)...)
Show SMILES OC(=O)c1ccccc1-c1ccc(CN2C=NC3(CCCC3)C2=O)cc1
Show InChI InChI=1S/C21H20N2O3/c24-19(25)18-6-2-1-5-17(18)16-9-7-15(8-10-16)13-23-14-22-21(20(23)26)11-3-4-12-21/h1-2,5-10,14H,3-4,11-13H2,(H,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sanofi Recherche

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 measured by ability to displace [125I]- A II from its specific binding site in rat liver membran...


J Med Chem 36: 3371-80 (1993)


Article DOI: 10.1021/jm00074a018
BindingDB Entry DOI: 10.7270/Q22Z14M0
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50003290
PNG
(CHEMBL39345 | [2-Butyl-3-(2-chloro-benzyl)-3H-imid...)
Show SMILES CCCCc1ncc(CC(O)=O)n1Cc1ccccc1Cl
Show InChI InChI=1S/C16H19ClN2O2/c1-2-3-8-15-18-10-13(9-16(20)21)19(15)11-12-6-4-5-7-14(12)17/h4-7,10H,2-3,8-9,11H2,1H3,(H,20,21)
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n/an/a 1.20E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-AII specific binding towards Angiotensin II receptor in rat mesenteric membranes.


J Med Chem 34: 1514-7 (1991)


Article DOI: 10.1021/jm00108a043
BindingDB Entry DOI: 10.7270/Q2TD9WBV
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50003290
PNG
(CHEMBL39345 | [2-Butyl-3-(2-chloro-benzyl)-3H-imid...)
Show SMILES CCCCc1ncc(CC(O)=O)n1Cc1ccccc1Cl
Show InChI InChI=1S/C16H19ClN2O2/c1-2-3-8-15-18-10-13(9-16(20)21)19(15)11-12-6-4-5-7-14(12)17/h4-7,10H,2-3,8-9,11H2,1H3,(H,20,21)
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n/an/a 1.20E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Angiotensin II receptor induced vasoconstriction of the rabbit aorta


J Med Chem 35: 3858-72 (1992)


Article DOI: 10.1021/jm00099a013
BindingDB Entry DOI: 10.7270/Q23T9G4T
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50003284
PNG
(CHEMBL25528 | [2-Butyl-5-chloro-3-(2-chloro-benzyl...)
Show SMILES CCCCc1nc(Cl)c(CC(O)=O)n1Cc1ccccc1Cl
Show InChI InChI=1S/C16H18Cl2N2O2/c1-2-3-8-14-19-16(18)13(9-15(21)22)20(14)10-11-6-4-5-7-12(11)17/h4-7H,2-3,8-10H2,1H3,(H,21,22)
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n/an/a 4.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory concentration that gave 50 percent displacement of specific binding of [3H]AII (2 nM) to Angiotensin II receptor


Citation and Details

Article DOI: 10.1021/jm00167a007
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50003284
PNG
(CHEMBL25528 | [2-Butyl-5-chloro-3-(2-chloro-benzyl...)
Show SMILES CCCCc1nc(Cl)c(CC(O)=O)n1Cc1ccccc1Cl
Show InChI InChI=1S/C16H18Cl2N2O2/c1-2-3-8-14-19-16(18)13(9-15(21)22)20(14)10-11-6-4-5-7-12(11)17/h4-7H,2-3,8-10H2,1H3,(H,21,22)
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n/an/a 4.30E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-AII specific binding towards Angiotensin II receptor in rat mesenteric membranes.


J Med Chem 34: 1514-7 (1991)


Article DOI: 10.1021/jm00108a043
BindingDB Entry DOI: 10.7270/Q2TD9WBV
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50003284
PNG
(CHEMBL25528 | [2-Butyl-5-chloro-3-(2-chloro-benzyl...)
Show SMILES CCCCc1nc(Cl)c(CC(O)=O)n1Cc1ccccc1Cl
Show InChI InChI=1S/C16H18Cl2N2O2/c1-2-3-8-14-19-16(18)13(9-15(21)22)20(14)10-11-6-4-5-7-12(11)17/h4-7H,2-3,8-10H2,1H3,(H,21,22)
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n/an/a 4.30E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Angiotensin II receptor specific binding to rat mesenteric arteries


J Med Chem 35: 3858-72 (1992)


Article DOI: 10.1021/jm00099a013
BindingDB Entry DOI: 10.7270/Q23T9G4T
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50046086
PNG
(CHEMBL12737 | {2-Butyl-5-chloro-3-[2'-(2H-tetrazol...)
Show SMILES CCCCc1nc(CCCC)n(Cc2ccc(cc2)-n2cccc2C(O)=O)n1
Show InChI InChI=1S/C22H28N4O2/c1-3-5-9-20-23-21(10-6-4-2)26(24-20)16-17-11-13-18(14-12-17)25-15-7-8-19(25)22(27)28/h7-8,11-15H,3-6,9-10,16H2,1-2H3,(H,27,28)
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n/an/a 1.59E+5n/an/an/an/an/an/a



Searle & Company

Curated by ChEMBL


Assay Description
Activity against low affinity Angiotensin II receptor, type 2 was measured from the ability to inhibit [125I]-angiotensin II binding to rat uterine m...


J Med Chem 36: 101-10 (1993)


Article DOI: 10.1021/jm00053a013
BindingDB Entry DOI: 10.7270/Q2KH0MDW
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50005347
PNG
(4'-((2-butyl-1H-benzo[d]imidazol-1-yl)methyl)biphe...)
Show SMILES CCCCc1nc2ccccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C25H24N2O2/c1-2-3-12-24-26-22-10-6-7-11-23(22)27(24)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25(28)29/h4-11,13-16H,2-3,12,17H2,1H3,(H,28,29)
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n/an/an/a 3.16n/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Antagonist activity at AT1 receptor in rat aortic rings


Bioorg Med Chem 16: 10210-5 (2008)


Article DOI: 10.1016/j.bmc.2008.10.056
BindingDB Entry DOI: 10.7270/Q22F7PN5
More data for this
Ligand-Target Pair