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Articleid 50029360

Compile data set for download or QSAR
Found 56 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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n/an/a 0.0520n/an/an/an/an/an/a



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)
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


(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



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)
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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n/an/a 0.150n/an/an/an/an/an/a



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)
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 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 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 type 1a (AT-1a) receptor


(RABBIT)
BDBM50030714
PNG
(CHEMBL93907 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzoy...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C35H33Cl2N5O5S/c1-3-5-14-32-39-42(30-21-25(19-20-29(30)37)38-33(43)4-2)35(45)41(32)22-23-15-17-24(18-16-23)26-10-7-9-13-31(26)48(46,47)40-34(44)27-11-6-8-12-28(27)36/h6-13,15-21H,3-5,14,22H2,1-2H3,(H,38,43)(H,40,44)
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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)
BDBM50030732
PNG
(CHEMBL323506 | N-{3-[3-Butyl-4-(3-fluoro-2'(tert-b...)
Show SMILES CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C35H41ClFN5O6S/c1-7-9-11-32-39-42(30-20-26(38-22(3)43)15-16-28(30)36)34(45)41(32)21-25-14-13-24(19-29(25)37)27-18-23(10-8-2)12-17-31(27)49(46,47)40-33(44)48-35(4,5)6/h12-20H,7-11,21H2,1-6H3,(H,38,43)(H,40,44)
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TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound 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 AT2


(RAT)
BDBM50030732
PNG
(CHEMBL323506 | N-{3-[3-Butyl-4-(3-fluoro-2'(tert-b...)
Show SMILES CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C35H41ClFN5O6S/c1-7-9-11-32-39-42(30-20-26(38-22(3)43)15-16-28(30)36)34(45)41(32)21-25-14-13-24(19-29(25)37)27-18-23(10-8-2)12-17-31(27)49(46,47)40-33(44)48-35(4,5)6/h12-20H,7-11,21H2,1-6H3,(H,38,43)(H,40,44)
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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)
BDBM50283759
PNG
(CHEMBL319730 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzo...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1cc(CC)ccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C37H37Cl2N5O5S/c1-4-7-12-34-41-44(32-22-27(18-19-31(32)39)40-35(45)6-3)37(47)43(34)23-25-13-16-26(17-14-25)29-21-24(5-2)15-20-33(29)50(48,49)42-36(46)28-10-8-9-11-30(28)38/h8-11,13-22H,4-7,12,23H2,1-3H3,(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 type 1a (AT-1a) receptor


(RABBIT)
BDBM50030719
PNG
(4-[[2'-[N-(tert-Butoxycarbonyl)sulfamoyl]biphenyl-...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H38F3N5O6S/c1-6-8-13-29-39-42(27-20-24(38-30(43)7-2)18-19-26(27)34(35,36)37)32(45)41(29)21-22-14-16-23(17-15-22)25-11-9-10-12-28(25)49(46,47)40-31(44)48-33(3,4)5/h9-12,14-20H,6-8,13,21H2,1-5H3,(H,38,43)(H,40,44)
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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)
BDBM50283760
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)OC(C)(C)C
Show InChI InChI=1S/C31H32F4N4O5S/c1-5-6-15-27-36-39(25-13-9-8-12-23(25)31(33,34)35)29(41)38(27)19-21-17-16-20(18-24(21)32)22-11-7-10-14-26(22)45(42,43)37-28(40)44-30(2,3)4/h7-14,16-18H,5-6,15,19H2,1-4H3,(H,37,40)
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n/an/a 0.310n/an/an/an/an/an/a



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 (AT-1) type-1


(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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n/an/a 0.380n/an/an/an/an/an/a



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)
BDBM50035451
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)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C31H33F3N4O5S/c1-5-6-15-27-35-38(25-13-9-8-12-24(25)31(32,33)34)29(40)37(27)20-21-16-18-22(19-17-21)23-11-7-10-14-26(23)44(41,42)36-28(39)43-30(2,3)4/h7-14,16-19H,5-6,15,20H2,1-4H3,(H,36,39)
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n/an/a 0.450n/an/an/an/an/an/a



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


(HUMAN)
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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n/an/a 0.480n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against cloned human AT1 receptor


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)
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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n/an/a 0.620n/an/an/an/an/an/a



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)
BDBM82433
PNG
(CHEMBL302102 | L-159,689 | L-159689 | N-Pentyl-N-[...)
Show SMILES CCCCCN(C(=O)c1ccccc1)c1ccc2nc(CCC)n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c(=O)c2c1
Show InChI InChI=1S/C37H37N7O2/c1-3-5-11-23-43(36(45)28-13-7-6-8-14-28)29-21-22-33-32(24-29)37(46)44(34(38-33)12-4-2)25-26-17-19-27(20-18-26)30-15-9-10-16-31(30)35-39-41-42-40-35/h6-10,13-22,24H,3-5,11-12,23,25H2,1-2H3,(H,39,40,41,42)
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n/an/a 0.700n/an/an/an/an/an/a



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 (AT-1) type-1


(RAT)
BDBM50030732
PNG
(CHEMBL323506 | N-{3-[3-Butyl-4-(3-fluoro-2'(tert-b...)
Show SMILES CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C35H41ClFN5O6S/c1-7-9-11-32-39-42(30-20-26(38-22(3)43)15-16-28(30)36)34(45)41(32)21-25-14-13-24(19-29(25)37)27-18-23(10-8-2)12-17-31(27)49(46,47)40-33(44)48-35(4,5)6/h12-20H,7-11,21H2,1-6H3,(H,38,43)(H,40,44)
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n/an/a 0.700n/an/an/an/an/an/a



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 receptor


(HUMAN)
BDBM50030732
PNG
(CHEMBL323506 | N-{3-[3-Butyl-4-(3-fluoro-2'(tert-b...)
Show SMILES CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C35H41ClFN5O6S/c1-7-9-11-32-39-42(30-20-26(38-22(3)43)15-16-28(30)36)34(45)41(32)21-25-14-13-24(19-29(25)37)27-18-23(10-8-2)12-17-31(27)49(46,47)40-33(44)48-35(4,5)6/h12-20H,7-11,21H2,1-6H3,(H,38,43)(H,40,44)
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n/an/a 0.820n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against cloned human AT1 receptor


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)
BDBM50030732
PNG
(CHEMBL323506 | N-{3-[3-Butyl-4-(3-fluoro-2'(tert-b...)
Show SMILES CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C35H41ClFN5O6S/c1-7-9-11-32-39-42(30-20-26(38-22(3)43)15-16-28(30)36)34(45)41(32)21-25-14-13-24(19-29(25)37)27-18-23(10-8-2)12-17-31(27)49(46,47)40-33(44)48-35(4,5)6/h12-20H,7-11,21H2,1-6H3,(H,38,43)(H,40,44)
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n/an/a 0.840n/an/an/an/an/an/a



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)
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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n/an/a 0.900n/an/an/an/an/an/a



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)
BDBM50283767
PNG
(CHEMBL94793 | Pentanoic acid (3-{3-butyl-4-[2'-(2-...)
Show SMILES CCCCC(=O)Nc1ccc(Cl)c(c1)-n1nc(CCCC)n(Cc2ccc(cc2)-c2cc(CC)ccc2S(=O)(=O)NC(=O)c2ccccc2Cl)c1=O
Show InChI InChI=1S/C39H41Cl2N5O5S/c1-4-7-13-36-43-46(34-24-29(20-21-33(34)41)42-37(47)14-8-5-2)39(49)45(36)25-27-15-18-28(19-16-27)31-23-26(6-3)17-22-35(31)52(50,51)44-38(48)30-11-9-10-12-32(30)40/h9-12,15-24H,4-8,13-14,25H2,1-3H3,(H,42,47)(H,44,48)
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n/an/a 1n/an/an/an/an/an/a



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)
BDBM50030719
PNG
(4-[[2'-[N-(tert-Butoxycarbonyl)sulfamoyl]biphenyl-...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H38F3N5O6S/c1-6-8-13-29-39-42(27-20-24(38-30(43)7-2)18-19-26(27)34(35,36)37)32(45)41(29)21-22-14-16-23(17-15-22)25-11-9-10-12-28(25)49(46,47)40-31(44)48-33(3,4)5/h9-12,14-20H,6-8,13,21H2,1-5H3,(H,38,43)(H,40,44)
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n/an/a 1n/an/an/an/an/an/a



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


(RAT)
BDBM50283758
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C36H33ClF4N4O4S/c1-3-5-15-33-42-45(31-14-9-7-12-28(31)36(39,40)41)35(47)44(33)22-25-18-17-24(21-30(25)38)27-20-23(10-4-2)16-19-32(27)50(48,49)43-34(46)26-11-6-8-13-29(26)37/h6-9,11-14,16-21H,3-5,10,15,22H2,1-2H3,(H,43,46)
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n/an/a 1.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against AT2 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)
BDBM50283761
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C36H34ClF3N4O4S/c1-3-5-15-33-41-44(31-14-9-7-12-29(31)36(38,39)40)35(46)43(33)23-25-16-19-26(20-17-25)28-22-24(10-4-2)18-21-32(28)49(47,48)42-34(45)27-11-6-8-13-30(27)37/h6-9,11-14,16-22H,3-5,10,15,23H2,1-2H3,(H,42,45)
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n/an/a 1.30n/an/an/an/an/an/a



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)
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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n/an/a 1.40n/an/an/an/an/an/a



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 (AT-1) type-1


(RAT)
BDBM50283758
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C36H33ClF4N4O4S/c1-3-5-15-33-42-45(31-14-9-7-12-28(31)36(39,40)41)35(47)44(33)22-25-18-17-24(21-30(25)38)27-20-23(10-4-2)16-19-32(27)50(48,49)43-34(46)26-11-6-8-13-29(26)37/h6-9,11-14,16-21H,3-5,10,15,22H2,1-2H3,(H,43,46)
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n/an/a 1.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against AT2 receptor from human 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 AT2


(RAT)
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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n/an/a 1.60n/an/an/an/an/an/a



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)
BDBM82433
PNG
(CHEMBL302102 | L-159,689 | L-159689 | N-Pentyl-N-[...)
Show SMILES CCCCCN(C(=O)c1ccccc1)c1ccc2nc(CCC)n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c(=O)c2c1
Show InChI InChI=1S/C37H37N7O2/c1-3-5-11-23-43(36(45)28-13-7-6-8-14-28)29-21-22-33-32(24-29)37(46)44(34(38-33)12-4-2)25-26-17-19-27(20-18-26)30-15-9-10-16-31(30)35-39-41-42-40-35/h6-10,13-22,24H,3-5,11-12,23,25H2,1-2H3,(H,39,40,41,42)
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n/an/a 1.70n/an/an/an/an/an/a



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


(HUMAN)
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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n/an/a 2.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against AT2 receptor from human 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 AT2


(RAT)
BDBM50030714
PNG
(CHEMBL93907 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzoy...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C35H33Cl2N5O5S/c1-3-5-14-32-39-42(30-21-25(19-20-29(30)37)38-33(43)4-2)35(45)41(32)22-23-15-17-24(18-16-23)26-10-7-9-13-31(26)48(46,47)40-34(44)27-11-6-8-12-28(27)36/h6-13,15-21H,3-5,14,22H2,1-2H3,(H,38,43)(H,40,44)
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n/an/a 2.5n/an/an/an/an/an/a



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


(HUMAN)
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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n/an/a 2.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against AT2 receptor from human 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 AT2


(RAT)
BDBM50283758
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C36H33ClF4N4O4S/c1-3-5-15-33-42-45(31-14-9-7-12-28(31)36(39,40)41)35(47)44(33)22-25-18-17-24(21-30(25)38)27-20-23(10-4-2)16-19-32(27)50(48,49)43-34(46)26-11-6-8-13-29(26)37/h6-9,11-14,16-21H,3-5,10,15,22H2,1-2H3,(H,43,46)
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n/an/a 3.5n/an/an/an/an/an/a



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)
BDBM50283759
PNG
(CHEMBL319730 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzo...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1cc(CC)ccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C37H37Cl2N5O5S/c1-4-7-12-34-41-44(32-22-27(18-19-31(32)39)40-35(45)6-3)37(47)43(34)23-25-13-16-26(17-14-25)29-21-24(5-2)15-20-33(29)50(48,49)42-36(46)28-10-8-9-11-30(28)38/h8-11,13-22H,4-7,12,23H2,1-3H3,(H,40,45)(H,42,46)
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n/an/a 3.5n/an/an/an/an/an/a



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)
BDBM50283758
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C36H33ClF4N4O4S/c1-3-5-15-33-42-45(31-14-9-7-12-28(31)36(39,40)41)35(47)44(33)22-25-18-17-24(21-30(25)38)27-20-23(10-4-2)16-19-32(27)50(48,49)43-34(46)26-11-6-8-13-29(26)37/h6-9,11-14,16-21H,3-5,10,15,22H2,1-2H3,(H,43,46)
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n/an/a 3.90n/an/an/an/an/an/a



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)
BDBM50283760
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)OC(C)(C)C
Show InChI InChI=1S/C31H32F4N4O5S/c1-5-6-15-27-36-39(25-13-9-8-12-23(25)31(33,34)35)29(41)38(27)19-21-17-16-20(18-24(21)32)22-11-7-10-14-26(22)45(42,43)37-28(40)44-30(2,3)4/h7-14,16-18H,5-6,15,19H2,1-4H3,(H,37,40)
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n/an/a 4.20n/an/an/an/an/an/a



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)
BDBM50283767
PNG
(CHEMBL94793 | Pentanoic acid (3-{3-butyl-4-[2'-(2-...)
Show SMILES CCCCC(=O)Nc1ccc(Cl)c(c1)-n1nc(CCCC)n(Cc2ccc(cc2)-c2cc(CC)ccc2S(=O)(=O)NC(=O)c2ccccc2Cl)c1=O
Show InChI InChI=1S/C39H41Cl2N5O5S/c1-4-7-13-36-43-46(34-24-29(20-21-33(34)41)42-37(47)14-8-5-2)39(49)45(36)25-27-15-18-28(19-16-27)31-23-26(6-3)17-22-35(31)52(50,51)44-38(48)30-11-9-10-12-32(30)40/h9-12,15-24H,4-8,13-14,25H2,1-3H3,(H,42,47)(H,44,48)
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n/an/a 4.90n/an/an/an/an/an/a



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))
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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n/an/a 5.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against AT1 receptor from human 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 AT2


(RAT)
BDBM50283764
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H39F3N4O5S/c1-6-8-14-30-38-41(28-13-10-9-12-27(28)34(35,36)37)32(43)40(30)22-24-15-18-25(19-16-24)26-21-23(11-7-2)17-20-29(26)47(44,45)39-31(42)46-33(3,4)5/h9-10,12-13,15-21H,6-8,11,14,22H2,1-5H3,(H,39,42)
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n/an/a 8.10n/an/an/an/an/an/a



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)
BDBM50283764
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H39F3N4O5S/c1-6-8-14-30-38-41(28-13-10-9-12-27(28)34(35,36)37)32(43)40(30)22-24-15-18-25(19-16-24)26-21-23(11-7-2)17-20-29(26)47(44,45)39-31(42)46-33(3,4)5/h9-10,12-13,15-21H,6-8,11,14,22H2,1-5H3,(H,39,42)
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n/an/a 10n/an/an/an/an/an/a



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)
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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n/an/a 12n/an/an/an/an/an/a



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)
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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n/an/a 12n/an/an/an/an/an/a



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


(HUMAN)
BDBM50030732
PNG
(CHEMBL323506 | N-{3-[3-Butyl-4-(3-fluoro-2'(tert-b...)
Show SMILES CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C35H41ClFN5O6S/c1-7-9-11-32-39-42(30-20-26(38-22(3)43)15-16-28(30)36)34(45)41(32)21-25-14-13-24(19-29(25)37)27-18-23(10-8-2)12-17-31(27)49(46,47)40-33(44)48-35(4,5)6/h12-20H,7-11,21H2,1-6H3,(H,38,43)(H,40,44)
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against AT2 receptor from human 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 AT2


(RAT)
BDBM50283761
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C36H34ClF3N4O4S/c1-3-5-15-33-41-44(31-14-9-7-12-29(31)36(38,39)40)35(46)43(33)23-25-16-19-26(20-17-25)28-22-24(10-4-2)18-21-32(28)49(47,48)42-34(45)27-11-6-8-13-30(27)37/h6-9,11-14,16-22H,3-5,10,15,23H2,1-2H3,(H,42,45)
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n/an/a 14n/an/an/an/an/an/a



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))
BDBM50030732
PNG
(CHEMBL323506 | N-{3-[3-Butyl-4-(3-fluoro-2'(tert-b...)
Show SMILES CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C35H41ClFN5O6S/c1-7-9-11-32-39-42(30-20-26(38-22(3)43)15-16-28(30)36)34(45)41(32)21-25-14-13-24(19-29(25)37)27-18-23(10-8-2)12-17-31(27)49(46,47)40-33(44)48-35(4,5)6/h12-20H,7-11,21H2,1-6H3,(H,38,43)(H,40,44)
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against AT1 receptor from human 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 receptor


(Homo sapiens (Human))
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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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against AT1 receptor from human 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 receptor


(Homo sapiens (Human))
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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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against AT1 receptor from human 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 AT2


(RAT)
BDBM50035451
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)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C31H33F3N4O5S/c1-5-6-15-27-35-38(25-13-9-8-12-24(25)31(32,33)34)29(40)37(27)20-21-16-18-22(19-17-21)23-11-7-10-14-26(23)44(41,42)36-28(39)43-30(2,3)4/h7-14,16-19H,5-6,15,20H2,1-4H3,(H,36,39)
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n/an/a 17n/an/an/an/an/an/a



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


(HUMAN)
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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n/an/a 17n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against AT2 receptor from human 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 AT2


(RAT)
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 36n/an/an/an/an/an/a



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))
BDBM50283758
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C36H33ClF4N4O4S/c1-3-5-15-33-42-45(31-14-9-7-12-28(31)36(39,40)41)35(47)44(33)22-25-18-17-24(21-30(25)38)27-20-23(10-4-2)16-19-32(27)50(48,49)43-34(46)26-11-6-8-13-29(26)37/h6-9,11-14,16-21H,3-5,10,15,22H2,1-2H3,(H,43,46)
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n/an/a 110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against AT1 receptor from human 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 receptor


(HUMAN)
BDBM50283758
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C36H33ClF4N4O4S/c1-3-5-15-33-42-45(31-14-9-7-12-28(31)36(39,40)41)35(47)44(33)22-25-18-17-24(21-30(25)38)27-20-23(10-4-2)16-19-32(27)50(48,49)43-34(46)26-11-6-8-13-29(26)37/h6-9,11-14,16-21H,3-5,10,15,22H2,1-2H3,(H,43,46)
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n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against AT2 receptor from human 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 receptor


(Homo sapiens (Human))
BDBM50283764
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H39F3N4O5S/c1-6-8-14-30-38-41(28-13-10-9-12-27(28)34(35,36)37)32(43)40(30)22-24-15-18-25(19-16-24)26-21-23(11-7-2)17-20-29(26)47(44,45)39-31(42)46-33(3,4)5/h9-10,12-13,15-21H,6-8,11,14,22H2,1-5H3,(H,39,42)
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n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against AT1 receptor from human 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 receptor


(HUMAN)
BDBM50283764
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H39F3N4O5S/c1-6-8-14-30-38-41(28-13-10-9-12-27(28)34(35,36)37)32(43)40(30)22-24-15-18-25(19-16-24)26-21-23(11-7-2)17-20-29(26)47(44,45)39-31(42)46-33(3,4)5/h9-10,12-13,15-21H,6-8,11,14,22H2,1-5H3,(H,39,42)
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n/an/a 270n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against AT2 receptor from human 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
* indicates data uncertainty>20%