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Compile Data Set for Download or QSAR

Found 1373 hits of ic50 for UniProtKB: P34976   
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
Type-1 angiotensin II receptor


(RABBIT)		BDBM50035458
PNG
(CHEMBL138690 | N-[3-(3-Butyl-4-{2'-[(3,4-dichloro-...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1occ(Cl)c1Cl
Show InChI InChI=1S/C33H30Cl3N5O6S/c1-3-5-10-28-38-41(26-17-22(15-16-24(26)34)37-29(42)4-2)33(44)40(28)18-20-11-13-21(14-12-20)23-8-6-7-9-27(23)48(45,46)39-32(43)31-30(36)25(35)19-47-31/h6-9,11-17,19H,3-5,10,18H2,1-2H3,(H,37,42)(H,39,43)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against angiotensin I (AT1) receptor to competitively block the specific binding of [125I]- [Sar1,Ile8] AII to a...

J Med Chem 37: 4464-78 (1995)


BindingDB Entry DOI: 10.7270/Q2WD3ZK5
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50035458
PNG
(CHEMBL138690 | N-[3-(3-Butyl-4-{2'-[(3,4-dichloro-...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1occ(Cl)c1Cl
Show InChI InChI=1S/C33H30Cl3N5O6S/c1-3-5-10-28-38-41(26-17-22(15-16-24(26)34)37-29(42)4-2)33(44)40(28)18-20-11-13-21(14-12-20)23-8-6-7-9-27(23)48(45,46)39-32(43)31-30(36)25(35)19-47-31/h6-9,11-17,19H,3-5,10,18H2,1-2H3,(H,37,42)(H,39,43)
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TBA

Assay Description
Antagonist activity at AT1 receptor in rabbit aorta membranes

Citation and Details

Article DOI: 10.1007/s00044-013-0831-x
BindingDB Entry DOI: 10.7270/Q2C82BRJ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50035434
PNG
(CHEMBL265797 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzo...)
Show SMILES CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C34H31Cl2N5O5S/c1-3-4-13-32-38-41(30-20-25(37-22(2)42)18-19-29(30)36)34(44)40(32)21-23-14-16-24(17-15-23)26-9-6-8-12-31(26)47(45,46)39-33(43)27-10-5-7-11-28(27)35/h5-12,14-20H,3-4,13,21H2,1-2H3,(H,37,42)(H,39,43)
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TBA

Curated by ChEMBL


Assay Description
In vitro ability of the compound to inhibit the binding of radioligand 125I[Sar1,IIe8]AII to AT1 receptor from rabbit aorta

Bioorg Med Chem Lett 4: 2787-2792 (1994)


Article DOI: 10.1016/S0960-894X(01)80595-3
BindingDB Entry DOI: 10.7270/Q2WS8T68
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50035434
PNG
(CHEMBL265797 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzo...)
Show SMILES CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C34H31Cl2N5O5S/c1-3-4-13-32-38-41(30-20-25(37-22(2)42)18-19-29(30)36)34(44)40(32)21-23-14-16-24(17-15-23)26-9-6-8-12-31(26)47(45,46)39-33(43)27-10-5-7-11-28(27)35/h5-12,14-20H,3-4,13,21H2,1-2H3,(H,37,42)(H,39,43)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against angiotensin I (AT1) receptor to competitively block the specific binding of [125I]- [Sar1,Ile8] AII to a...

J Med Chem 37: 4464-78 (1995)


BindingDB Entry DOI: 10.7270/Q2WD3ZK5
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50035434
PNG
(CHEMBL265797 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzo...)
Show SMILES CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C34H31Cl2N5O5S/c1-3-4-13-32-38-41(30-20-25(37-22(2)42)18-19-29(30)36)34(44)40(32)21-23-14-16-24(17-15-23)26-9-6-8-12-31(26)47(45,46)39-33(43)27-10-5-7-11-28(27)35/h5-12,14-20H,3-4,13,21H2,1-2H3,(H,37,42)(H,39,43)
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TBA

Assay Description
Antagonist activity at AT1 receptor in rabbit aorta membranes

Citation and Details

Article DOI: 10.1007/s00044-013-0831-x
BindingDB Entry DOI: 10.7270/Q2C82BRJ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50044402
PNG
(2-Butyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C26H24N6O2/c1-2-3-11-23-27-22-10-6-9-21(26(33)34)24(22)32(23)16-17-12-14-18(15-13-17)19-7-4-5-8-20(19)25-28-30-31-29-25/h4-10,12-15H,2-3,11,16H2,1H3,(H,33,34)(H,28,29,30,31)
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The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Antagonist activity at angiotensin AT1 receptor in rabbit aortic strip assessed as inhibition of angiotensin 2-induced contractile response

Bioorg Med Chem 18: 8418-56 (2010)


Article DOI: 10.1016/j.bmc.2010.10.043
BindingDB Entry DOI: 10.7270/Q2H70G3T
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50035444
PNG
(4-[[2'-[N-(tert-Butoxycarbonyl)sulfamoyl]biphenyl-...)
Show SMILES CCCCC(=O)Nc1ccc(Cl)c(c1)-n1nc(CCCC)n(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O
Show InChI InChI=1S/C35H42ClN5O6S/c1-6-8-14-31-38-41(29-22-26(20-21-28(29)36)37-32(42)15-9-7-2)34(44)40(31)23-24-16-18-25(19-17-24)27-12-10-11-13-30(27)48(45,46)39-33(43)47-35(3,4)5/h10-13,16-22H,6-9,14-15,23H2,1-5H3,(H,37,42)(H,39,43)
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TBA

Assay Description
Antagonist activity at AT1 receptor in rabbit aorta membranes

Citation and Details

Article DOI: 10.1007/s00044-013-0831-x
BindingDB Entry DOI: 10.7270/Q2C82BRJ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50030692
PNG
(CHEMBL339672 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzo...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C35H32Cl2FN5O5S/c1-3-5-14-32-40-43(30-20-24(17-18-28(30)37)39-33(44)4-2)35(46)42(32)21-23-16-15-22(19-29(23)38)25-10-7-9-13-31(25)49(47,48)41-34(45)26-11-6-8-12-27(26)36/h6-13,15-20H,3-5,14,21H2,1-2H3,(H,39,44)(H,41,45)
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TBA

Assay Description
Antagonist activity at Oryctolagus cuniculus (rabbit) aortic AT1 receptor

Citation and Details

Article DOI: 10.1007/s00044-011-9815-x
BindingDB Entry DOI: 10.7270/Q2VT1W0S
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50035444
PNG
(4-[[2'-[N-(tert-Butoxycarbonyl)sulfamoyl]biphenyl-...)
Show SMILES CCCCC(=O)Nc1ccc(Cl)c(c1)-n1nc(CCCC)n(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O
Show InChI InChI=1S/C35H42ClN5O6S/c1-6-8-14-31-38-41(29-22-26(20-21-28(29)36)37-32(42)15-9-7-2)34(44)40(31)23-24-16-18-25(19-17-24)27-12-10-11-13-30(27)48(45,46)39-33(43)47-35(3,4)5/h10-13,16-22H,6-9,14-15,23H2,1-5H3,(H,37,42)(H,39,43)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against angiotensin I (AT1) receptor to competitively block the specific binding of [125I]- [Sar1,Ile8] AII to a...

J Med Chem 37: 4464-78 (1995)


BindingDB Entry DOI: 10.7270/Q2WD3ZK5
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50030692
PNG
(CHEMBL339672 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzo...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C35H32Cl2FN5O5S/c1-3-5-14-32-40-43(30-20-24(17-18-28(30)37)39-33(44)4-2)35(46)42(32)21-23-16-15-22(19-29(23)38)25-10-7-9-13-31(25)49(47,48)41-34(45)26-11-6-8-12-27(26)36/h6-13,15-20H,3-5,14,21H2,1-2H3,(H,39,44)(H,41,45)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Angiotensin II receptor, type 1 in rabbit aorta membrane preparations.

J Med Chem 38: 3741-58 (1995)


BindingDB Entry DOI: 10.7270/Q2Q81C35
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50030692
PNG
(CHEMBL339672 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzo...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C35H32Cl2FN5O5S/c1-3-5-14-32-40-43(30-20-24(17-18-28(30)37)39-33(44)4-2)35(46)42(32)21-23-16-15-22(19-29(23)38)25-10-7-9-13-31(25)49(47,48)41-34(45)26-11-6-8-12-27(26)36/h6-13,15-20H,3-5,14,21H2,1-2H3,(H,39,44)(H,41,45)
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TBA

Assay Description
Antagonist activity at Oryctolagus cuniculus (rabbit) aortic AT1 receptor

Citation and Details

Article DOI: 10.1007/s00044-011-9815-x
BindingDB Entry DOI: 10.7270/Q2VT1W0S
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50035454
PNG
(CHEMBL343309 | Cyclopropanecarboxylic acid (3-{3-b...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)C3CC3)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C36H33Cl2N5O5S/c1-2-3-12-33-40-43(31-21-26(19-20-30(31)38)39-34(44)25-17-18-25)36(46)42(33)22-23-13-15-24(16-14-23)27-8-5-7-11-32(27)49(47,48)41-35(45)28-9-4-6-10-29(28)37/h4-11,13-16,19-21,25H,2-3,12,17-18,22H2,1H3,(H,39,44)(H,41,45)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against angiotensin I (AT1) receptor to competitively block the specific binding of [125I]- [Sar1,Ile8] AII to a...

J Med Chem 37: 4464-78 (1995)


BindingDB Entry DOI: 10.7270/Q2WD3ZK5
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50035454
PNG
(CHEMBL343309 | Cyclopropanecarboxylic acid (3-{3-b...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)C3CC3)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C36H33Cl2N5O5S/c1-2-3-12-33-40-43(31-21-26(19-20-30(31)38)39-34(44)25-17-18-25)36(46)42(33)22-23-13-15-24(16-14-23)27-8-5-7-11-32(27)49(47,48)41-35(45)28-9-4-6-10-29(28)37/h4-11,13-16,19-21,25H,2-3,12,17-18,22H2,1H3,(H,39,44)(H,41,45)
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TBA

Assay Description
Antagonist activity at AT1 receptor in rabbit aorta membranes

Citation and Details

Article DOI: 10.1007/s00044-013-0831-x
BindingDB Entry DOI: 10.7270/Q2C82BRJ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50030684
PNG
(CHEMBL339722 | N-{3-[3-Butyl-4-(3-fluoro-2-(N-t-bu...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)COCC)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H39ClFN5O7S/c1-6-8-13-30-38-41(28-19-24(16-17-26(28)35)37-31(42)21-47-7-2)33(44)40(30)20-23-15-14-22(18-27(23)36)25-11-9-10-12-29(25)49(45,46)39-32(43)48-34(3,4)5/h9-12,14-19H,6-8,13,20-21H2,1-5H3,(H,37,42)(H,39,43)
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TBA

Assay Description
Antagonist activity at Oryctolagus cuniculus (rabbit) aortic AT1 receptor

Citation and Details

Article DOI: 10.1007/s00044-011-9815-x
BindingDB Entry DOI: 10.7270/Q2VT1W0S
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50030684
PNG
(CHEMBL339722 | N-{3-[3-Butyl-4-(3-fluoro-2-(N-t-bu...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)COCC)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H39ClFN5O7S/c1-6-8-13-30-38-41(28-19-24(16-17-26(28)35)37-31(42)21-47-7-2)33(44)40(30)20-23-15-14-22(18-27(23)36)25-11-9-10-12-29(25)49(45,46)39-32(43)48-34(3,4)5/h9-12,14-19H,6-8,13,20-21H2,1-5H3,(H,37,42)(H,39,43)
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TBA

Assay Description
Antagonist activity at Oryctolagus cuniculus (rabbit) aortic AT1 receptor

Citation and Details

Article DOI: 10.1007/s00044-011-9815-x
BindingDB Entry DOI: 10.7270/Q2VT1W0S
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50282276
PNG
(CHEMBL304947 | Pentanoic acid {2-butyl-3-[2'-(3-cy...)
Show SMILES CCCCC(=O)Nc1cc2nc(CCCC)n(Cc3ccc(cc3)-c3ccccc3S(=O)(=O)NC(=O)CCC3CCCC3)c2nc1C
Show InChI InChI=1S/C37H47N5O4S/c1-4-6-16-34-39-32-24-31(40-35(43)17-7-5-2)26(3)38-37(32)42(34)25-28-18-21-29(22-19-28)30-14-10-11-15-33(30)47(45,46)41-36(44)23-20-27-12-8-9-13-27/h10-11,14-15,18-19,21-22,24,27H,4-9,12-13,16-17,20,23,25H2,1-3H3,(H,40,43)(H,41,44)
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TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined by its ability to displace the specific binding ligand [125I]-Sar1, Ile8-AII from Angiotensin II receptor, type ...

Bioorg Med Chem Lett 4: 17-22 (1994)


Article DOI: 10.1016/S0960-894X(01)81115-X
BindingDB Entry DOI: 10.7270/Q2G73DPF
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50282274
PNG
(4'-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-y...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)CCC1CCCC1
Show InChI InChI=1S/C31H36N4O3S/c1-4-28-33-30-21(2)19-22(3)32-31(30)35(28)20-24-13-16-25(17-14-24)26-11-7-8-12-27(26)39(37,38)34-29(36)18-15-23-9-5-6-10-23/h7-8,11-14,16-17,19,23H,4-6,9-10,15,18,20H2,1-3H3,(H,34,36)
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TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined by its ability to displace the specific binding ligand [125I]-Sar1, Ile8-AII from Angiotensin II receptor, type ...

Bioorg Med Chem Lett 4: 17-22 (1994)


Article DOI: 10.1016/S0960-894X(01)81115-X
BindingDB Entry DOI: 10.7270/Q2G73DPF
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50041969
PNG
(3-{2-Butyl-4-oxo-3-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C31H34N8O2/c1-5-6-11-28-33-27-17-16-23(32-31(41)38(4)20(2)3)18-26(27)30(40)39(28)19-21-12-14-22(15-13-21)24-9-7-8-10-25(24)29-34-36-37-35-29/h7-10,12-18,20H,5-6,11,19H2,1-4H3,(H,32,41)(H,34,35,36,37)
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TBA

Curated by ChEMBL


Assay Description
Displacement of [125 I]Sar1Ile8-AII from type 1 Angiotensin II receptor of rabbit aorta membrane

Bioorg Med Chem Lett 4: 1479-1484 (1994)


Article DOI: 10.1016/S0960-894X(01)80517-5
BindingDB Entry DOI: 10.7270/Q2BC401G
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50041969
PNG
(3-{2-Butyl-4-oxo-3-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C31H34N8O2/c1-5-6-11-28-33-27-17-16-23(32-31(41)38(4)20(2)3)18-26(27)30(40)39(28)19-21-12-14-22(15-13-21)24-9-7-8-10-25(24)29-34-36-37-35-29/h7-10,12-18,20H,5-6,11,19H2,1-4H3,(H,32,41)(H,34,35,36,37)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against AT-1 receptor from rabbit aorta using [125I]-Sar1-Ile8-Ang II without BSA

J Med Chem 36: 3207-10 (1993)


BindingDB Entry DOI: 10.7270/Q2QR4W6P
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50030684
PNG
(CHEMBL339722 | N-{3-[3-Butyl-4-(3-fluoro-2-(N-t-bu...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)COCC)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H39ClFN5O7S/c1-6-8-13-30-38-41(28-19-24(16-17-26(28)35)37-31(42)21-47-7-2)33(44)40(30)20-23-15-14-22(18-27(23)36)25-11-9-10-12-29(25)49(45,46)39-32(43)48-34(3,4)5/h9-12,14-19H,6-8,13,20-21H2,1-5H3,(H,37,42)(H,39,43)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Angiotensin II receptor, type 1 in rabbit aorta membrane preparations.

J Med Chem 38: 3741-58 (1995)


BindingDB Entry DOI: 10.7270/Q2Q81C35
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50041969
PNG
(3-{2-Butyl-4-oxo-3-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C31H34N8O2/c1-5-6-11-28-33-27-17-16-23(32-31(41)38(4)20(2)3)18-26(27)30(40)39(28)19-21-12-14-22(15-13-21)24-9-7-8-10-25(24)29-34-36-37-35-29/h7-10,12-18,20H,5-6,11,19H2,1-4H3,(H,32,41)(H,34,35,36,37)
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TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-AII (without BSA) from type 1 Angiotensin II receptor of rabbit aorta

Bioorg Med Chem Lett 3: 1299-1304 (1993)


Article DOI: 10.1016/S0960-894X(00)80335-2
BindingDB Entry DOI: 10.7270/Q29P31KG
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50041969
PNG
(3-{2-Butyl-4-oxo-3-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C31H34N8O2/c1-5-6-11-28-33-27-17-16-23(32-31(41)38(4)20(2)3)18-26(27)30(40)39(28)19-21-12-14-22(15-13-21)24-9-7-8-10-25(24)29-34-36-37-35-29/h7-10,12-18,20H,5-6,11,19H2,1-4H3,(H,32,41)(H,34,35,36,37)
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DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against Angiotensin II receptor, type 1 in rabbit aorta

J Med Chem 39: 625-56 (1996)


Article DOI: 10.1021/jm9504722
BindingDB Entry DOI: 10.7270/Q29P3299
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50035445
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C33H28ClF3N4O4S/c1-2-3-16-30-38-41(28-14-8-6-12-26(28)33(35,36)37)32(43)40(30)21-22-17-19-23(20-18-22)24-10-5-9-15-29(24)46(44,45)39-31(42)25-11-4-7-13-27(25)34/h4-15,17-20H,2-3,16,21H2,1H3,(H,39,42)
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TBA

Curated by ChEMBL


Assay Description
In vitro ability of the compound to inhibit the binding of radioligand 125I[Sar1,IIe8]AII to AT1 receptor from rabbit aorta

Bioorg Med Chem Lett 4: 2787-2792 (1994)


Article DOI: 10.1016/S0960-894X(01)80595-3
BindingDB Entry DOI: 10.7270/Q2WS8T68
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50035439
PNG
(CHEMBL343142 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzo...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC(C)C)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C37H37Cl2N5O5S/c1-4-5-14-34-41-44(32-22-27(19-20-31(32)39)40-35(45)21-24(2)3)37(47)43(34)23-25-15-17-26(18-16-25)28-10-7-9-13-33(28)50(48,49)42-36(46)29-11-6-8-12-30(29)38/h6-13,15-20,22,24H,4-5,14,21,23H2,1-3H3,(H,40,45)(H,42,46)
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TBA

Assay Description
Antagonist activity at AT1 receptor in rabbit aorta membranes

Citation and Details

Article DOI: 10.1007/s00044-013-0831-x
BindingDB Entry DOI: 10.7270/Q2C82BRJ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50035456
PNG
(CHEMBL341934 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzo...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CCC)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C36H35Cl2N5O5S/c1-3-5-15-33-40-43(31-22-26(20-21-30(31)38)39-34(44)10-4-2)36(46)42(33)23-24-16-18-25(19-17-24)27-11-7-9-14-32(27)49(47,48)41-35(45)28-12-6-8-13-29(28)37/h6-9,11-14,16-22H,3-5,10,15,23H2,1-2H3,(H,39,44)(H,41,45)
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TBA

Assay Description
Antagonist activity at AT1 receptor in rabbit aorta membranes

Citation and Details

Article DOI: 10.1007/s00044-013-0831-x
BindingDB Entry DOI: 10.7270/Q2C82BRJ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50035445
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C33H28ClF3N4O4S/c1-2-3-16-30-38-41(28-14-8-6-12-26(28)33(35,36)37)32(43)40(30)21-22-17-19-23(20-18-22)24-10-5-9-15-29(24)46(44,45)39-31(42)25-11-4-7-13-27(25)34/h4-15,17-20H,2-3,16,21H2,1H3,(H,39,42)
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TBA

Assay Description
Antagonist activity at AT1 receptor in rabbit aorta membranes

Citation and Details

Article DOI: 10.1007/s00044-013-0831-x
BindingDB Entry DOI: 10.7270/Q2C82BRJ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50035445
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C33H28ClF3N4O4S/c1-2-3-16-30-38-41(28-14-8-6-12-26(28)33(35,36)37)32(43)40(30)21-22-17-19-23(20-18-22)24-10-5-9-15-29(24)46(44,45)39-31(42)25-11-4-7-13-27(25)34/h4-15,17-20H,2-3,16,21H2,1H3,(H,39,42)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII

J Med Chem 37: 2808-24 (1994)


BindingDB Entry DOI: 10.7270/Q2M907QM
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50035456
PNG
(CHEMBL341934 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzo...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CCC)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C36H35Cl2N5O5S/c1-3-5-15-33-40-43(31-22-26(20-21-30(31)38)39-34(44)10-4-2)36(46)42(33)23-24-16-18-25(19-17-24)27-11-7-9-14-32(27)49(47,48)41-35(45)28-12-6-8-13-29(28)37/h6-9,11-14,16-22H,3-5,10,15,23H2,1-2H3,(H,39,44)(H,41,45)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against angiotensin I (AT1) receptor to competitively block the specific binding of [125I]- [Sar1,Ile8] AII to a...

J Med Chem 37: 4464-78 (1995)


BindingDB Entry DOI: 10.7270/Q2WD3ZK5
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50035445
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C33H28ClF3N4O4S/c1-2-3-16-30-38-41(28-14-8-6-12-26(28)33(35,36)37)32(43)40(30)21-22-17-19-23(20-18-22)24-10-5-9-15-29(24)46(44,45)39-31(42)25-11-4-7-13-27(25)34/h4-15,17-20H,2-3,16,21H2,1H3,(H,39,42)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against angiotensin I (AT1) receptor to competitively block the specific binding of [125I]- [Sar1,Ile8] AII to a...

J Med Chem 37: 4464-78 (1995)


BindingDB Entry DOI: 10.7270/Q2WD3ZK5
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50035439
PNG
(CHEMBL343142 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzo...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC(C)C)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C37H37Cl2N5O5S/c1-4-5-14-34-41-44(32-22-27(19-20-31(32)39)40-35(45)21-24(2)3)37(47)43(34)23-25-15-17-26(18-16-25)28-10-7-9-13-33(28)50(48,49)42-36(46)29-11-6-8-12-30(29)38/h6-13,15-20,22,24H,4-5,14,21,23H2,1-3H3,(H,40,45)(H,42,46)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against angiotensin I (AT1) receptor to competitively block the specific binding of [125I]- [Sar1,Ile8] AII to a...

J Med Chem 37: 4464-78 (1995)


BindingDB Entry DOI: 10.7270/Q2WD3ZK5
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50282277
PNG
(CHEMBL306407 | Imidazo[4,5-b]pyridine derivative)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCCC)nc3cc(NC(=O)CCCC)c(C)nc23)cc1
Show InChI InChI=1S/C34H43N5O5S/c1-5-8-15-31-36-29-22-28(37-32(40)16-9-6-2)24(4)35-33(29)39(31)23-25-17-19-26(20-18-25)27-13-11-12-14-30(27)45(42,43)38-34(41)44-21-10-7-3/h11-14,17-20,22H,5-10,15-16,21,23H2,1-4H3,(H,37,40)(H,38,41)
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TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined by its ability to displace the specific binding ligand [125I]-Sar1, Ile8-AII from Angiotensin II receptor, type ...

Bioorg Med Chem Lett 4: 17-22 (1994)


Article DOI: 10.1016/S0960-894X(01)81115-X
BindingDB Entry DOI: 10.7270/Q2G73DPF
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50035430
PNG
(CHEMBL140708 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzo...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)Cc3ccccc3)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C40H35Cl2N5O5S/c1-2-3-17-37-44-47(35-25-30(22-23-34(35)42)43-38(48)24-27-11-5-4-6-12-27)40(50)46(37)26-28-18-20-29(21-19-28)31-13-8-10-16-36(31)53(51,52)45-39(49)32-14-7-9-15-33(32)41/h4-16,18-23,25H,2-3,17,24,26H2,1H3,(H,43,48)(H,45,49)
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TBA

Assay Description
Antagonist activity at AT1 receptor in rabbit aorta membranes

Citation and Details

Article DOI: 10.1007/s00044-013-0831-x
BindingDB Entry DOI: 10.7270/Q2C82BRJ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50030729
PNG
(CHEMBL124771 | N-{4-Bromo-3-[3-butyl-4-(3-fluoro-2...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2Br)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H37BrFN5O6S/c1-6-8-13-29-37-40(27-19-23(16-17-25(27)34)36-30(41)7-2)32(43)39(29)20-22-15-14-21(18-26(22)35)24-11-9-10-12-28(24)47(44,45)38-31(42)46-33(3,4)5/h9-12,14-19H,6-8,13,20H2,1-5H3,(H,36,41)(H,38,42)
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TBA

Assay Description
Antagonist activity at Oryctolagus cuniculus (rabbit) aortic AT1 receptor

Citation and Details

Article DOI: 10.1007/s00044-011-9815-x
BindingDB Entry DOI: 10.7270/Q2VT1W0S
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50282281
PNG
(CHEMBL68618 | Pentanoic acid {2-butyl-3-[2'-(3-cyc...)
Show SMILES CCCCC(=O)Nc1cnc2n(Cc3ccc(cc3)-c3ccccc3S(=O)(=O)NC(=O)CCC3CCCC3)c(CCCC)nc2c1
Show InChI InChI=1S/C36H45N5O4S/c1-3-5-15-33-39-31-23-29(38-34(42)16-6-4-2)24-37-36(31)41(33)25-27-17-20-28(21-18-27)30-13-9-10-14-32(30)46(44,45)40-35(43)22-19-26-11-7-8-12-26/h9-10,13-14,17-18,20-21,23-24,26H,3-8,11-12,15-16,19,22,25H2,1-2H3,(H,38,42)(H,40,43)
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TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined by its ability to displace the specific binding ligand [125I]-Sar1, Ile8-AII from Angiotensin II receptor, type ...

Bioorg Med Chem Lett 4: 17-22 (1994)


Article DOI: 10.1016/S0960-894X(01)81115-X
BindingDB Entry DOI: 10.7270/Q2G73DPF
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50282470
PNG
(CHEMBL353037 | Quinazolinone Analog)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc3ccc(NC(=O)NC(C)C)cc3c2=O)cc1
Show InChI InChI=1S/C33H39N5O6S/c1-5-7-19-44-33(41)37-45(42,43)29-12-9-8-11-26(29)24-15-13-23(14-16-24)21-38-30(10-6-2)36-28-18-17-25(20-27(28)31(38)39)35-32(40)34-22(3)4/h8-9,11-18,20,22H,5-7,10,19,21H2,1-4H3,(H,37,41)(H2,34,35,40)
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n/an/a 0.120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for binding affinity against Angiotensin II receptor, type 1 in rabbit aortic membrane

Bioorg Med Chem Lett 4: 81-86 (1994)


Article DOI: 10.1016/S0960-894X(01)81126-4
BindingDB Entry DOI: 10.7270/Q2D79BBS
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50030729
PNG
(CHEMBL124771 | N-{4-Bromo-3-[3-butyl-4-(3-fluoro-2...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2Br)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H37BrFN5O6S/c1-6-8-13-29-37-40(27-19-23(16-17-25(27)34)36-30(41)7-2)32(43)39(29)20-22-15-14-21(18-26(22)35)24-11-9-10-12-28(24)47(44,45)38-31(42)46-33(3,4)5/h9-12,14-19H,6-8,13,20H2,1-5H3,(H,36,41)(H,38,42)
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n/an/a 0.120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Angiotensin II receptor, type 1 in rabbit aorta membrane preparations.

J Med Chem 38: 3741-58 (1995)


BindingDB Entry DOI: 10.7270/Q2Q81C35
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50035430
PNG
(CHEMBL140708 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzo...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)Cc3ccccc3)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C40H35Cl2N5O5S/c1-2-3-17-37-44-47(35-25-30(22-23-34(35)42)43-38(48)24-27-11-5-4-6-12-27)40(50)46(37)26-28-18-20-29(21-19-28)31-13-8-10-16-36(31)53(51,52)45-39(49)32-14-7-9-15-33(32)41/h4-16,18-23,25H,2-3,17,24,26H2,1H3,(H,43,48)(H,45,49)
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n/an/a 0.120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against angiotensin I (AT1) receptor to competitively block the specific binding of [125I]- [Sar1,Ile8] AII to a...

J Med Chem 37: 4464-78 (1995)


BindingDB Entry DOI: 10.7270/Q2WD3ZK5
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50030729
PNG
(CHEMBL124771 | N-{4-Bromo-3-[3-butyl-4-(3-fluoro-2...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2Br)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H37BrFN5O6S/c1-6-8-13-29-37-40(27-19-23(16-17-25(27)34)36-30(41)7-2)32(43)39(29)20-22-15-14-21(18-26(22)35)24-11-9-10-12-28(24)47(44,45)38-31(42)46-33(3,4)5/h9-12,14-19H,6-8,13,20H2,1-5H3,(H,36,41)(H,38,42)
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TBA

Assay Description
Antagonist activity at Oryctolagus cuniculus (rabbit) aortic AT1 receptor

Citation and Details

Article DOI: 10.1007/s00044-011-9815-x
BindingDB Entry DOI: 10.7270/Q2VT1W0S
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50030687
PNG
(CHEMBL339256 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzo...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C36H32ClF4N5O5S/c1-3-5-14-32-43-46(30-20-24(42-33(47)4-2)17-18-27(30)36(39,40)41)35(49)45(32)21-23-16-15-22(19-29(23)38)25-10-7-9-13-31(25)52(50,51)44-34(48)26-11-6-8-12-28(26)37/h6-13,15-20H,3-5,14,21H2,1-2H3,(H,42,47)(H,44,48)
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TBA

Assay Description
Antagonist activity at Oryctolagus cuniculus (rabbit) aortic AT1 receptor

Citation and Details

Article DOI: 10.1007/s00044-011-9815-x
BindingDB Entry DOI: 10.7270/Q2VT1W0S
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50030728
PNG
(CHEMBL339605 | N-{3-[3-Butyl-4-(3-fluoro-2'-(N-t-b...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H37ClFN5O6S/c1-6-8-13-29-37-40(27-19-23(16-17-25(27)34)36-30(41)7-2)32(43)39(29)20-22-15-14-21(18-26(22)35)24-11-9-10-12-28(24)47(44,45)38-31(42)46-33(3,4)5/h9-12,14-19H,6-8,13,20H2,1-5H3,(H,36,41)(H,38,42)
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TBA

Assay Description
Antagonist activity at Oryctolagus cuniculus (rabbit) aortic AT1 receptor

Citation and Details

Article DOI: 10.1007/s00044-011-9815-x
BindingDB Entry DOI: 10.7270/Q2VT1W0S
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50030687
PNG
(CHEMBL339256 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzo...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C36H32ClF4N5O5S/c1-3-5-14-32-43-46(30-20-24(42-33(47)4-2)17-18-27(30)36(39,40)41)35(49)45(32)21-23-16-15-22(19-29(23)38)25-10-7-9-13-31(25)52(50,51)44-34(48)26-11-6-8-12-28(26)37/h6-13,15-20H,3-5,14,21H2,1-2H3,(H,42,47)(H,44,48)
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n/an/a 0.130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Angiotensin II receptor, type 1 in rabbit aorta membrane preparations.

J Med Chem 38: 3741-58 (1995)


BindingDB Entry DOI: 10.7270/Q2Q81C35
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50030728
PNG
(CHEMBL339605 | N-{3-[3-Butyl-4-(3-fluoro-2'-(N-t-b...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H37ClFN5O6S/c1-6-8-13-29-37-40(27-19-23(16-17-25(27)34)36-30(41)7-2)32(43)39(29)20-22-15-14-21(18-26(22)35)24-11-9-10-12-28(24)47(44,45)38-31(42)46-33(3,4)5/h9-12,14-19H,6-8,13,20H2,1-5H3,(H,36,41)(H,38,42)
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n/an/a 0.130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Angiotensin II receptor, type 1 in rabbit aorta membrane preparations.

J Med Chem 38: 3741-58 (1995)


BindingDB Entry DOI: 10.7270/Q2Q81C35
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50030718
PNG
(CHEMBL332576 | N-{3-[3-Butyl-4-(3-fluoro-2-(N-t-bu...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCC
Show InChI InChI=1S/C32H33F4N5O6S/c1-4-7-12-28-38-41(26-18-22(37-29(42)5-2)15-16-24(26)32(34,35)36)31(44)40(28)19-21-14-13-20(17-25(21)33)23-10-8-9-11-27(23)48(45,46)39-30(43)47-6-3/h8-11,13-18H,4-7,12,19H2,1-3H3,(H,37,42)(H,39,43)
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TBA

Assay Description
Antagonist activity at Oryctolagus cuniculus (rabbit) aortic AT1 receptor

Citation and Details

Article DOI: 10.1007/s00044-011-9815-x
BindingDB Entry DOI: 10.7270/Q2VT1W0S
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50039862
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1F
Show InChI InChI=1S/C33H28F4N4O4S/c1-2-3-16-30-38-41(28-14-8-6-12-26(28)33(35,36)37)32(43)40(30)21-22-17-19-23(20-18-22)24-10-5-9-15-29(24)46(44,45)39-31(42)25-11-4-7-13-27(25)34/h4-15,17-20H,2-3,16,21H2,1H3,(H,39,42)
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n/an/a 0.130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII

J Med Chem 37: 2808-24 (1994)


BindingDB Entry DOI: 10.7270/Q2M907QM
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50283319
PNG
(2-Butyl-3-(3-fluoro-2'-(2-cyclopropylethyloxycarbo...)
Show SMILES CCCCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC1CC1
Show InChI InChI=1S/C36H42FN5O6S/c1-5-6-11-33-39-31-17-16-27(38-35(44)41(4)23(2)3)21-29(31)34(43)42(33)22-26-15-14-25(20-30(26)37)28-9-7-8-10-32(28)49(46,47)40-36(45)48-19-18-24-12-13-24/h7-10,14-17,20-21,23-24H,5-6,11-13,18-19,22H2,1-4H3,(H,38,44)(H,40,45)
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n/an/a 0.130n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo inhibitory concentration of the compound against Angiotensin II receptor, type 1 of rabbit aorta membrane

Bioorg Med Chem Lett 4: 2337-2342 (1994)


Article DOI: 10.1016/0960-894X(94)85036-4
BindingDB Entry DOI: 10.7270/Q2X066Z9
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50030718
PNG
(CHEMBL332576 | N-{3-[3-Butyl-4-(3-fluoro-2-(N-t-bu...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCC
Show InChI InChI=1S/C32H33F4N5O6S/c1-4-7-12-28-38-41(26-18-22(37-29(42)5-2)15-16-24(26)32(34,35)36)31(44)40(28)19-21-14-13-20(17-25(21)33)23-10-8-9-11-27(23)48(45,46)39-30(43)47-6-3/h8-11,13-18H,4-7,12,19H2,1-3H3,(H,37,42)(H,39,43)
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n/an/a 0.130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Angiotensin II receptor, type 1 in rabbit aorta membrane preparations.

J Med Chem 38: 3741-58 (1995)


BindingDB Entry DOI: 10.7270/Q2Q81C35
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50030718
PNG
(CHEMBL332576 | N-{3-[3-Butyl-4-(3-fluoro-2-(N-t-bu...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCC
Show InChI InChI=1S/C32H33F4N5O6S/c1-4-7-12-28-38-41(26-18-22(37-29(42)5-2)15-16-24(26)32(34,35)36)31(44)40(28)19-21-14-13-20(17-25(21)33)23-10-8-9-11-27(23)48(45,46)39-30(43)47-6-3/h8-11,13-18H,4-7,12,19H2,1-3H3,(H,37,42)(H,39,43)
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TBA

Assay Description
Antagonist activity at Oryctolagus cuniculus (rabbit) aortic AT1 receptor

Citation and Details

Article DOI: 10.1007/s00044-011-9815-x
BindingDB Entry DOI: 10.7270/Q2VT1W0S
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50030728
PNG
(CHEMBL339605 | N-{3-[3-Butyl-4-(3-fluoro-2'-(N-t-b...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H37ClFN5O6S/c1-6-8-13-29-37-40(27-19-23(16-17-25(27)34)36-30(41)7-2)32(43)39(29)20-22-15-14-21(18-26(22)35)24-11-9-10-12-28(24)47(44,45)38-31(42)46-33(3,4)5/h9-12,14-19H,6-8,13,20H2,1-5H3,(H,36,41)(H,38,42)
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TBA

Assay Description
Antagonist activity at Oryctolagus cuniculus (rabbit) aortic AT1 receptor

Citation and Details

Article DOI: 10.1007/s00044-011-9815-x
BindingDB Entry DOI: 10.7270/Q2VT1W0S
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50030687
PNG
(CHEMBL339256 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzo...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C36H32ClF4N5O5S/c1-3-5-14-32-43-46(30-20-24(42-33(47)4-2)17-18-27(30)36(39,40)41)35(49)45(32)21-23-16-15-22(19-29(23)38)25-10-7-9-13-31(25)52(50,51)44-34(48)26-11-6-8-12-28(26)37/h6-13,15-20H,3-5,14,21H2,1-2H3,(H,42,47)(H,44,48)
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TBA

Assay Description
Antagonist activity at Oryctolagus cuniculus (rabbit) aortic AT1 receptor

Citation and Details

Article DOI: 10.1007/s00044-011-9815-x
BindingDB Entry DOI: 10.7270/Q2VT1W0S
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50030731
PNG
(CHEMBL338101 | N-Butyl-3-{3-butyl-4-[2'-(2-chloro-...)
Show SMILES CCCCNC(=O)c1ccc(Cl)c(c1)-n1nc(CCCC)n(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)c1=O
Show InChI InChI=1S/C37H37Cl2N5O5S/c1-3-5-15-34-41-44(32-23-27(20-21-31(32)39)35(45)40-22-6-4-2)37(47)43(34)24-25-16-18-26(19-17-25)28-11-8-10-14-33(28)50(48,49)42-36(46)29-12-7-9-13-30(29)38/h7-14,16-21,23H,3-6,15,22,24H2,1-2H3,(H,40,45)(H,42,46)
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TBA

Assay Description
Antagonist activity at Oryctolagus cuniculus (rabbit) aortic AT1 receptor

Citation and Details

Article DOI: 10.1007/s00044-011-9815-x
BindingDB Entry DOI: 10.7270/Q2VT1W0S
More data for this
Ligand-Target Pair
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