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Compile Data Set for Download or QSAR

Found 724 hits with Last Name = 'flanagan' and Initial = 'kl'   
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)
BDBM50035429
PNG
(4'-[2-Butyl-6-(3-cyclohexyl-ureido)-benzoimidazol-...)
Show SMILES CCCCc1nc2ccc(NC(=O)NC3CCCCC3)cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C32H36N4O3/c1-2-3-13-30-35-28-19-18-25(34-32(39)33-24-9-5-4-6-10-24)20-29(28)36(30)21-22-14-16-23(17-15-22)26-11-7-8-12-27(26)31(37)38/h7-8,11-12,14-20,24H,2-6,9-10,13,21H2,1H3,(H,37,38)(H2,33,34,39)
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29n/an/an/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)


Article DOI: 10.1021/jm00052a006
BindingDB Entry DOI: 10.7270/Q2WD3ZK5
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) 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)


Article DOI: 10.1021/jm00052a006
BindingDB Entry DOI: 10.7270/Q2WD3ZK5
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) 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
Angiotensin II type 1a (AT-1a) 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)


Article DOI: 10.1021/jm00052a006
BindingDB Entry DOI: 10.7270/Q2WD3ZK5
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50030726
PNG
(3-[4-(2'-Benzoylsulfamoyl-3-fluoro-biphenyl-4-ylme...)
Show SMILES CCCNC(=O)c1ccc(c(c1)-n1nc(CCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)c1=O)C(F)(F)F
Show InChI InChI=1S/C36H33F4N5O5S/c1-3-10-32-42-45(30-21-25(33(46)41-19-4-2)17-18-28(30)36(38,39)40)35(48)44(32)22-26-16-15-24(20-29(26)37)27-13-8-9-14-31(27)51(49,50)43-34(47)23-11-6-5-7-12-23/h5-9,11-18,20-21H,3-4,10,19,22H2,1-2H3,(H,41,46)(H,43,47)
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n/an/a 0.0530n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin II type 2 receptor in rat adrenal membrane preparations.


J Med Chem 38: 3741-58 (1995)


Article DOI: 10.1021/jm00019a004
BindingDB Entry DOI: 10.7270/Q2Q81C35
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50030685
PNG
(CHEMBL338888 | Pentanoic acid {4-chloro-3-[3-ethyl...)
Show SMILES CCCCC(=O)Nc1ccc(Cl)c(c1)-n1nc(CC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O
Show InChI InChI=1S/C33H37ClFN5O6S/c1-6-8-13-30(41)36-23-16-17-25(34)27(19-23)40-32(43)39(29(7-2)37-40)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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin II type 2 receptor in rat adrenal membrane preparations.


J Med Chem 38: 3741-58 (1995)


Article DOI: 10.1021/jm00019a004
BindingDB Entry DOI: 10.7270/Q2Q81C35
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm00019a004
BindingDB Entry DOI: 10.7270/Q2Q81C35
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) 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)


Article DOI: 10.1021/jm00019a004
BindingDB Entry DOI: 10.7270/Q2Q81C35
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) 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)


Article DOI: 10.1021/jm00052a006
BindingDB Entry DOI: 10.7270/Q2WD3ZK5
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) 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)


Article DOI: 10.1021/jm00052a006
BindingDB Entry DOI: 10.7270/Q2WD3ZK5
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50030721
PNG
(4-Bromo-N-butyl-3-{4-[2'-(2,5-dichloro-benzoylsulf...)
Show SMILES CCCCNC(=O)c1ccc(Br)c(c1)-n1nc(CCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)c2cc(Cl)ccc2Cl)c1=O
Show InChI InChI=1S/C36H33BrCl2FN5O5S/c1-3-5-17-41-34(46)23-13-15-28(37)31(19-23)45-36(48)44(33(42-45)8-4-2)21-24-12-11-22(18-30(24)40)26-9-6-7-10-32(26)51(49,50)43-35(47)27-20-25(38)14-16-29(27)39/h6-7,9-16,18-20H,3-5,8,17,21H2,1-2H3,(H,41,46)(H,43,47)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin II type 2 receptor in rat adrenal membrane preparations.


J Med Chem 38: 3741-58 (1995)


Article DOI: 10.1021/jm00019a004
BindingDB Entry DOI: 10.7270/Q2Q81C35
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50283765
PNG
(CHEMBL321313 | N-{3-[3-Butyl-4-(3-fluoro-2'-(ethyl...)
Show SMILES CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)OCC
Show InChI InChI=1S/C33H37ClFN5O6S/c1-5-8-10-31-37-40(29-19-25(36-21(4)41)14-15-27(29)34)33(43)39(31)20-24-13-12-23(18-28(24)35)26-17-22(9-6-2)11-16-30(26)47(44,45)38-32(42)46-7-3/h11-19H,5-10,20H2,1-4H3,(H,36,41)(H,38,42)
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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 AT2 receptor from rat midbrain


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
Angiotensin II receptor


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm00019a004
BindingDB Entry DOI: 10.7270/Q2Q81C35
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) 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)


Article DOI: 10.1021/jm00019a004
BindingDB Entry DOI: 10.7270/Q2Q81C35
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50030693
PNG
(CHEMBL338687 | Pentanoic acid {4-bromo-3-[3-ethyl-...)
Show SMILES CCCCC(=O)Nc1ccc(Br)c(c1)-n1nc(CC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)C)c1=O
Show InChI InChI=1S/C32H35BrFN5O6S/c1-5-7-12-30(40)35-23-15-16-25(33)27(18-23)39-32(42)38(29(6-2)36-39)19-22-14-13-21(17-26(22)34)24-10-8-9-11-28(24)46(43,44)37-31(41)45-20(3)4/h8-11,13-18,20H,5-7,12,19H2,1-4H3,(H,35,40)(H,37,41)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Angiotensin II receptor, type 2 in rat midbrain membrane preparations.


J Med Chem 38: 3741-58 (1995)


Article DOI: 10.1021/jm00019a004
BindingDB Entry DOI: 10.7270/Q2Q81C35
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) 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
Angiotensin II receptor


(RAT)
BDBM50283763
PNG
(CHEMBL321531 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzo...)
Show SMILES CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C37H36Cl2FN5O5S/c1-4-6-12-35-42-45(33-21-27(41-23(3)46)16-17-31(33)39)37(48)44(35)22-26-15-14-25(20-32(26)40)29-19-24(9-5-2)13-18-34(29)51(49,50)43-36(47)28-10-7-8-11-30(28)38/h7-8,10-11,13-21H,4-6,9,12,22H2,1-3H3,(H,41,46)(H,43,47)
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TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against AT1 receptor from rat adrenal tissues


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
Angiotensin II type 1a (AT-1a) 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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n/an/a 0.110n/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)


Article DOI: 10.1021/jm00052a006
BindingDB Entry DOI: 10.7270/Q2WD3ZK5
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) 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)


Article DOI: 10.1021/jm00052a006
BindingDB Entry DOI: 10.7270/Q2WD3ZK5
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) 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)


Article DOI: 10.1021/jm00043a020
BindingDB Entry DOI: 10.7270/Q2M907QM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) 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)


Article DOI: 10.1021/jm00052a006
BindingDB Entry DOI: 10.7270/Q2WD3ZK5
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50030711
PNG
(CHEMBL338027 | L-163958 | Pentanoic acid {4-bromo-...)
Show SMILES CCCCC(=O)Nc1ccc(Br)c(c1)-n1nc(CC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O
Show InChI InChI=1S/C33H37BrFN5O6S/c1-6-8-13-30(41)36-23-16-17-25(34)27(19-23)40-32(43)39(29(7-2)37-40)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 2 in rat midbrain membrane preparations.


J Med Chem 38: 3741-58 (1995)


Article DOI: 10.1021/jm00019a004
BindingDB Entry DOI: 10.7270/Q2Q81C35
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) 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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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)


Article DOI: 10.1021/jm00052a006
BindingDB Entry DOI: 10.7270/Q2WD3ZK5
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) 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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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)


Article DOI: 10.1021/jm00019a004
BindingDB Entry DOI: 10.7270/Q2Q81C35
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) 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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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)


Article DOI: 10.1021/jm00019a004
BindingDB Entry DOI: 10.7270/Q2Q81C35
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) 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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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)


Article DOI: 10.1021/jm00019a004
BindingDB Entry DOI: 10.7270/Q2Q81C35
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) 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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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)


Article DOI: 10.1021/jm00043a020
BindingDB Entry DOI: 10.7270/Q2M907QM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) 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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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)


Article DOI: 10.1021/jm00019a004
BindingDB Entry DOI: 10.7270/Q2Q81C35
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50030720
PNG
(CHEMBL122158 | N-{3-[4-(3-Fluoro-2'-(N-t-butyloxyc...)
Show SMILES CCCc1nn(-c2cc(NC(=O)c3ccccc3)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C37H35F4N5O6S/c1-5-11-32-43-46(30-21-26(18-19-28(30)37(39,40)41)42-33(47)23-12-7-6-8-13-23)35(49)45(32)22-25-17-16-24(20-29(25)38)27-14-9-10-15-31(27)53(50,51)44-34(48)52-36(2,3)4/h6-10,12-21H,5,11,22H2,1-4H3,(H,42,47)(H,44,48)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin II type 2 receptor in rat adrenal membrane preparations.


J Med Chem 38: 3741-58 (1995)


Article DOI: 10.1021/jm00019a004
BindingDB Entry DOI: 10.7270/Q2Q81C35
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50030698
PNG
(CHEMBL435811 | N-{3-[3-Butyl-4-(3-fluoro-2'-(N-t-b...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CCOC)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H39ClFN5O7S/c1-6-7-12-30-38-41(28-20-24(15-16-26(28)35)37-31(42)17-18-47-5)33(44)40(30)21-23-14-13-22(19-27(23)36)25-10-8-9-11-29(25)49(45,46)39-32(43)48-34(2,3)4/h8-11,13-16,19-20H,6-7,12,17-18,21H2,1-5H3,(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)


Article DOI: 10.1021/jm00019a004
BindingDB Entry DOI: 10.7270/Q2Q81C35
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50030710
PNG
(CHEMBL332909 | N-{3-[4-(2'-Benzoylsulfamoyl-3-fluo...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C36H33F4N5O5S/c1-3-5-15-32-42-45(30-21-26(41-33(46)4-2)18-19-28(30)36(38,39)40)35(48)44(32)22-25-17-16-24(20-29(25)37)27-13-9-10-14-31(27)51(49,50)43-34(47)23-11-7-6-8-12-23/h6-14,16-21H,3-5,15,22H2,1-2H3,(H,41,46)(H,43,47)
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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)


Article DOI: 10.1021/jm00019a004
BindingDB Entry DOI: 10.7270/Q2Q81C35
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50035462
PNG
(4'-{3-Butyl-1-[2-chloro-5-(3-propyl-ureido)-phenyl...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)NCCC)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C36H36Cl2N6O5S/c1-3-5-14-33-41-44(31-22-26(19-20-30(31)38)40-35(46)39-21-4-2)36(47)43(33)23-24-15-17-25(18-16-24)27-10-7-9-13-32(27)50(48,49)42-34(45)28-11-6-8-12-29(28)37/h6-13,15-20,22H,3-5,14,21,23H2,1-2H3,(H,42,45)(H2,39,40,46)
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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)


Article DOI: 10.1021/jm00052a006
BindingDB Entry DOI: 10.7270/Q2WD3ZK5
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50030698
PNG
(CHEMBL435811 | N-{3-[3-Butyl-4-(3-fluoro-2'-(N-t-b...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CCOC)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H39ClFN5O7S/c1-6-7-12-30-38-41(28-20-24(15-16-26(28)35)37-31(42)17-18-47-5)33(44)40(30)21-23-14-13-22(19-27(23)36)25-10-8-9-11-29(25)49(45,46)39-32(43)48-34(2,3)4/h8-11,13-16,19-20H,6-7,12,17-18,21H2,1-5H3,(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)


Article DOI: 10.1021/jm00019a004
BindingDB Entry DOI: 10.7270/Q2Q81C35
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) 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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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)


Article DOI: 10.1021/jm00019a004
BindingDB Entry DOI: 10.7270/Q2Q81C35
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) 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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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)


Article DOI: 10.1021/jm00052a006
BindingDB Entry DOI: 10.7270/Q2WD3ZK5
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50030710
PNG
(CHEMBL332909 | N-{3-[4-(2'-Benzoylsulfamoyl-3-fluo...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C36H33F4N5O5S/c1-3-5-15-32-42-45(30-21-26(41-33(46)4-2)18-19-28(30)36(38,39)40)35(48)44(32)22-25-17-16-24(20-29(25)37)27-13-9-10-14-31(27)51(49,50)43-34(47)23-11-7-6-8-12-23/h6-14,16-21H,3-5,15,22H2,1-2H3,(H,41,46)(H,43,47)
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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)


Article DOI: 10.1021/jm00019a004
BindingDB Entry DOI: 10.7270/Q2Q81C35
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50030700
PNG
(CHEMBL436396 | N-{4-Bromo-3-[4-(3-fluoro-2'-(N-t-b...)
Show SMILES CCCc1nn(-c2cc(NC(=O)CC)ccc2Br)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C32H35BrFN5O6S/c1-6-10-28-36-39(26-18-22(15-16-24(26)33)35-29(40)7-2)31(42)38(28)19-21-14-13-20(17-25(21)34)23-11-8-9-12-27(23)46(43,44)37-30(41)45-32(3,4)5/h8-9,11-18H,6-7,10,19H2,1-5H3,(H,35,40)(H,37,41)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Angiotensin II receptor, type 2 in rat midbrain membrane preparations.


J Med Chem 38: 3741-58 (1995)


Article DOI: 10.1021/jm00019a004
BindingDB Entry DOI: 10.7270/Q2Q81C35
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50030691
PNG
(CHEMBL122380 | Pentanoic acid (4-bromo-3-{4-[2'-(2...)
Show SMILES CCCCC(=O)Nc1ccc(Br)c(c1)-n1nc(CC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)c2cc(F)ccc2F)c1=O
Show InChI InChI=1S/C35H31BrF3N5O5S/c1-3-5-10-33(45)40-24-14-15-27(36)30(19-24)44-35(47)43(32(4-2)41-44)20-22-12-11-21(17-29(22)39)25-8-6-7-9-31(25)50(48,49)42-34(46)26-18-23(37)13-16-28(26)38/h6-9,11-19H,3-5,10,20H2,1-2H3,(H,40,45)(H,42,46)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin II type 2 receptor in rat adrenal membrane preparations.


J Med Chem 38: 3741-58 (1995)


Article DOI: 10.1021/jm00019a004
BindingDB Entry DOI: 10.7270/Q2Q81C35
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50283766
PNG
(CHEMBL313868 | N-(3-{3-Butyl-4-[3-fluoro-2'-(2-flu...)
Show SMILES CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)c1ccccc1F
Show InChI InChI=1S/C37H36ClF2N5O5S/c1-4-6-12-35-42-45(33-21-27(41-23(3)46)16-17-30(33)38)37(48)44(35)22-26-15-14-25(20-32(26)40)29-19-24(9-5-2)13-18-34(29)51(49,50)43-36(47)28-10-7-8-11-31(28)39/h7-8,10-11,13-21H,4-6,9,12,22H2,1-3H3,(H,41,46)(H,43,47)
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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 AT2 receptor from rat midbrain


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
Angiotensin II AT2


(RAT)
BDBM50283763
PNG
(CHEMBL321531 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzo...)
Show SMILES CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C37H36Cl2FN5O5S/c1-4-6-12-35-42-45(33-21-27(41-23(3)46)16-17-31(33)39)37(48)44(35)22-26-15-14-25(20-32(26)40)29-19-24(9-5-2)13-18-34(29)51(49,50)43-36(47)28-10-7-8-11-30(28)38/h7-8,10-11,13-21H,4-6,9,12,22H2,1-3H3,(H,41,46)(H,43,47)
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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 AT2 receptor from rat midbrain


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
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50283762
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C33H27ClF4N4O4S/c1-2-3-16-30-39-42(28-14-8-6-12-25(28)33(36,37)38)32(44)41(30)20-22-18-17-21(19-27(22)35)23-10-5-9-15-29(23)47(45,46)40-31(43)24-11-4-7-13-26(24)34/h4-15,17-19H,2-3,16,20H2,1H3,(H,40,43)
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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
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50039880
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)C1CCCCC1
Show InChI InChI=1S/C33H35F3N4O4S/c1-2-3-17-30-37-40(28-15-9-8-14-27(28)33(34,35)36)32(42)39(30)22-23-18-20-24(21-19-23)26-13-7-10-16-29(26)45(43,44)38-31(41)25-11-5-4-6-12-25/h7-10,13-16,18-21,25H,2-6,11-12,17,22H2,1H3,(H,38,41)
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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)


Article DOI: 10.1021/jm00043a020
BindingDB Entry DOI: 10.7270/Q2M907QM
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Angiotensin II receptor, type 2 in rat midbrain membrane preparations.


J Med Chem 38: 3741-58 (1995)


Article DOI: 10.1021/jm00019a004
BindingDB Entry DOI: 10.7270/Q2Q81C35
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50030697
PNG
(CHEMBL339004 | N-Butyl-3-{3-butyl-4-[2'-(2-chloro-...)
Show SMILES CCCCNC(=O)c1ccc(Cl)c(c1)-n1nc(CCCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)c1=O
Show InChI InChI=1S/C37H36Cl2FN5O5S/c1-3-5-15-34-42-45(32-22-25(18-19-30(32)39)35(46)41-20-6-4-2)37(48)44(34)23-26-17-16-24(21-31(26)40)27-11-8-10-14-33(27)51(49,50)43-36(47)28-12-7-9-13-29(28)38/h7-14,16-19,21-22H,3-6,15,20,23H2,1-2H3,(H,41,46)(H,43,47)
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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)


Article DOI: 10.1021/jm00019a004
BindingDB Entry DOI: 10.7270/Q2Q81C35
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50035447
PNG
(CHEMBL96075 | Pentanoic acid (3-{3-butyl-4-[2'-(2-...)
Show SMILES CCCCC(=O)Nc1ccc(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(21-22-31(32)39)40-35(45)16-6-4-2)37(47)43(34)24-25-17-19-26(20-18-25)28-11-8-10-14-33(28)50(48,49)42-36(46)29-12-7-9-13-30(29)38/h7-14,17-23H,3-6,15-16,24H2,1-2H3,(H,40,45)(H,42,46)
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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
Angiotensin II AT2


(RAT)
BDBM50030709
PNG
(CHEMBL338434 | Pentanoic acid {3-[3-butyl-4-(3-flu...)
Show SMILES CCCCC(=O)Nc1ccc(c(c1)-n1nc(CCCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O)C(F)(F)F
Show InChI InChI=1S/C36H41F4N5O6S/c1-6-8-14-31-42-45(29-21-25(41-32(46)15-9-7-2)18-19-27(29)36(38,39)40)34(48)44(31)22-24-17-16-23(20-28(24)37)26-12-10-11-13-30(26)52(49,50)43-33(47)51-35(3,4)5/h10-13,16-21H,6-9,14-15,22H2,1-5H3,(H,41,46)(H,43,47)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin II type 2 receptor in rat adrenal membrane preparations.


J Med Chem 38: 3741-58 (1995)


Article DOI: 10.1021/jm00019a004
BindingDB Entry DOI: 10.7270/Q2Q81C35
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50035447
PNG
(CHEMBL96075 | Pentanoic acid (3-{3-butyl-4-[2'-(2-...)
Show SMILES CCCCC(=O)Nc1ccc(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(21-22-31(32)39)40-35(45)16-6-4-2)37(47)43(34)24-25-17-19-26(20-18-25)28-11-8-10-14-33(28)50(48,49)42-36(46)29-12-7-9-13-30(29)38/h7-14,17-23H,3-6,15-16,24H2,1-2H3,(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)


Article DOI: 10.1021/jm00052a006
BindingDB Entry DOI: 10.7270/Q2WD3ZK5
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50035438
PNG
(CHEMBL136465 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzo...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)C(C)(C)C)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C37H37Cl2N5O5S/c1-5-6-15-33-41-44(31-22-26(20-21-30(31)39)40-35(46)37(2,3)4)36(47)43(33)23-24-16-18-25(19-17-24)27-11-8-10-14-32(27)50(48,49)42-34(45)28-12-7-9-13-29(28)38/h7-14,16-22H,5-6,15,23H2,1-4H3,(H,40,46)(H,42,45)
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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)


Article DOI: 10.1021/jm00052a006
BindingDB Entry DOI: 10.7270/Q2WD3ZK5
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50030707
PNG
(CHEMBL122273 | Pentanoic acid (4-bromo-3-{3-ethyl-...)
Show SMILES CCCCC(=O)Nc1ccc(Br)c(c1)-n1nc(CC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2F)c1=O
Show InChI InChI=1S/C35H32BrF2N5O5S/c1-3-5-14-33(44)39-24-17-18-27(36)30(20-24)43-35(46)42(32(4-2)40-43)21-23-16-15-22(19-29(23)38)25-10-7-9-13-31(25)49(47,48)41-34(45)26-11-6-8-12-28(26)37/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 type 2 receptor in rat adrenal membrane preparations.


J Med Chem 38: 3741-58 (1995)


Article DOI: 10.1021/jm00019a004
BindingDB Entry DOI: 10.7270/Q2Q81C35
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50039929
PNG
(2-{4-[3-butyl-5-oxo-1-(2-trifluoromethylphenyl)-4,...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NS(=O)(=O)C(C)C
Show InChI InChI=1S/C29H31F3N4O5S2/c1-4-5-14-27-33-36(25-12-8-7-11-24(25)29(30,31)32)28(37)35(27)19-21-15-17-22(18-16-21)23-10-6-9-13-26(23)43(40,41)34-42(38,39)20(2)3/h6-13,15-18,20,34H,4-5,14,19H2,1-3H3
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n/an/a 0.160n/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)


Article DOI: 10.1021/jm00043a020
BindingDB Entry DOI: 10.7270/Q2M907QM
More data for this
Ligand-Target Pair
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