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Articleid 50029203

Compile data set for download or QSAR
Found 19 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
Type-1 angiotensin II receptor B


(RAT)		BDBM50030727
PNG
(4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C33H29F3N4O4S/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/h4-16,18-21H,2-3,17,22H2,1H3,(H,38,41)
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n/an/a 0.310n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound towards Angiotensin II receptor, type 1 to displace 125I[Sar,Ile] from rat brain tissue preparation

Bioorg Med Chem Lett 4: 115-120 (1994)


Article DOI: 10.1016/S0960-894X(01)81132-X
BindingDB Entry DOI: 10.7270/Q2057FT4
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50030727
PNG
(4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C33H29F3N4O4S/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/h4-16,18-21H,2-3,17,22H2,1H3,(H,38,41)
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n/an/a 0.330n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound towards Angiotensin II receptor, type 1 to displace 125I[Sar,Ile] from rat adrenal tissue preparation

Bioorg Med Chem Lett 4: 115-120 (1994)


Article DOI: 10.1016/S0960-894X(01)81132-X
BindingDB Entry DOI: 10.7270/Q2057FT4
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50030727
PNG
(4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C33H29F3N4O4S/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/h4-16,18-21H,2-3,17,22H2,1H3,(H,38,41)
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n/an/a 0.430n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of 125I[Sar,Ile] from rabbit aorta membrane Angiotensin II receptor type 1

Bioorg Med Chem Lett 4: 115-120 (1994)


Article DOI: 10.1016/S0960-894X(01)81132-X
BindingDB Entry DOI: 10.7270/Q2057FT4
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50030727
PNG
(4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C33H29F3N4O4S/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/h4-16,18-21H,2-3,17,22H2,1H3,(H,38,41)
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TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound towards angiotensin-1 receptor to displace 125I[Sar,Ile] from rabbit adrenal tissue preparation

Bioorg Med Chem Lett 4: 115-120 (1994)


Article DOI: 10.1016/S0960-894X(01)81132-X
BindingDB Entry DOI: 10.7270/Q2057FT4
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50030727
PNG
(4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C33H29F3N4O4S/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/h4-16,18-21H,2-3,17,22H2,1H3,(H,38,41)
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n/an/a 0.550n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound towards angiotensin-1 receptor to displace 125I[Sar,Ile] from rabbit brain tissue preparation

Bioorg Med Chem Lett 4: 115-120 (1994)


Article DOI: 10.1016/S0960-894X(01)81132-X
BindingDB Entry DOI: 10.7270/Q2057FT4
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50030727
PNG
(4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C33H29F3N4O4S/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/h4-16,18-21H,2-3,17,22H2,1H3,(H,38,41)
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n/an/a 0.550n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound towards angiotensin-1 receptor to displace 125I[Sar,Ile] from rabbit brain tissue preparation

Bioorg Med Chem Lett 4: 115-120 (1994)


Article DOI: 10.1016/S0960-894X(01)81132-X
BindingDB Entry DOI: 10.7270/Q2057FT4
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50035431
PNG
(5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C27H24F3N7O/c1-2-3-12-24-33-37(23-11-7-6-10-22(23)27(28,29)30)26(38)36(24)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25-31-34-35-32-25/h4-11,13-16H,2-3,12,17H2,1H3,(H,31,32,34,35)
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n/an/a 0.780n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of 125I[Sar,Ile] from rabbit aorta membrane Angiotensin II receptor type 1

Bioorg Med Chem Lett 4: 115-120 (1994)


Article DOI: 10.1016/S0960-894X(01)81132-X
BindingDB Entry DOI: 10.7270/Q2057FT4
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50282213
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)C(=O)C(C)C
Show InChI InChI=1S/C31H31F3N4O5S/c1-4-5-14-27-35-38(25-12-8-7-11-24(25)31(32,33)34)30(41)37(27)19-21-15-17-22(18-16-21)23-10-6-9-13-26(23)44(42,43)36-29(40)28(39)20(2)3/h6-13,15-18,20H,4-5,14,19H2,1-3H3,(H,36,40)
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TBA

Curated by ChEMBL


Assay Description
Displacement of 125I[Sar,Ile] from rabbit aorta membrane Angiotensin II receptor type 1

Bioorg Med Chem Lett 4: 115-120 (1994)


Article DOI: 10.1016/S0960-894X(01)81132-X
BindingDB Entry DOI: 10.7270/Q2057FT4
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50282212
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)C(=O)C(F)(F)F
Show InChI InChI=1S/C29H24F6N4O5S/c1-2-3-12-24-36-39(22-10-6-5-9-21(22)28(30,31)32)27(42)38(24)17-18-13-15-19(16-14-18)20-8-4-7-11-23(20)45(43,44)37-26(41)25(40)29(33,34)35/h4-11,13-16H,2-3,12,17H2,1H3,(H,37,41)
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TBA

Curated by ChEMBL


Assay Description
Displacement of 125I[Sar,Ile] from rabbit aorta membrane Angiotensin II receptor type 1

Bioorg Med Chem Lett 4: 115-120 (1994)


Article DOI: 10.1016/S0960-894X(01)81132-X
BindingDB Entry DOI: 10.7270/Q2057FT4
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50039888
PNG
(4'-[3-Butyl-1-(2-chloro-phenyl)-5-oxo-1,5-dihydro-...)
Show SMILES CCCCc1nn(-c2ccccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C32H29ClN4O4S/c1-2-3-17-30-34-37(28-15-9-8-14-27(28)33)32(39)36(30)22-23-18-20-24(21-19-23)26-13-7-10-16-29(26)42(40,41)35-31(38)25-11-5-4-6-12-25/h4-16,18-21H,2-3,17,22H2,1H3,(H,35,38)
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TBA

Curated by ChEMBL


Assay Description
Displacement of 125I[Sar,Ile] from rabbit aorta membrane Angiotensin II receptor type 1

Bioorg Med Chem Lett 4: 115-120 (1994)


Article DOI: 10.1016/S0960-894X(01)81132-X
BindingDB Entry DOI: 10.7270/Q2057FT4
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50039872
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)Cc1ccccc1
Show InChI InChI=1S/C34H31F3N4O4S/c1-2-3-17-31-38-41(29-15-9-8-14-28(29)34(35,36)37)33(43)40(31)23-25-18-20-26(21-19-25)27-13-7-10-16-30(27)46(44,45)39-32(42)22-24-11-5-4-6-12-24/h4-16,18-21H,2-3,17,22-23H2,1H3,(H,39,42)
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TBA

Curated by ChEMBL


Assay Description
Displacement of 125I[Sar,Ile] from rabbit aorta membrane Angiotensin II receptor type 1

Bioorg Med Chem Lett 4: 115-120 (1994)


Article DOI: 10.1016/S0960-894X(01)81132-X
BindingDB Entry DOI: 10.7270/Q2057FT4
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50044503
PNG
(5-Butyl-2-(2,2-dimethyl-propyl)-4-[2'-(2H-tetrazol...)
Show SMILES CCCCc1nn(CC(C)(C)C)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C25H31N7O/c1-5-6-11-22-28-32(17-25(2,3)4)24(33)31(22)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)23-26-29-30-27-23/h7-10,12-15H,5-6,11,16-17H2,1-4H3,(H,26,27,29,30)
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TBA

Curated by ChEMBL


Assay Description
Displacement of 125I[Sar,Ile] from rabbit aorta membrane Angiotensin II receptor type 1

Bioorg Med Chem Lett 4: 115-120 (1994)


Article DOI: 10.1016/S0960-894X(01)81132-X
BindingDB Entry DOI: 10.7270/Q2057FT4
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50044505
PNG
(5-Butyl-2-(2-chloro-phenyl)-4-[2'-(2H-tetrazol-5-y...)
Show SMILES CCCCc1nn(-c2ccccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C26H24ClN7O/c1-2-3-12-24-30-34(23-11-7-6-10-22(23)27)26(35)33(24)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25-28-31-32-29-25/h4-11,13-16H,2-3,12,17H2,1H3,(H,28,29,31,32)
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TBA

Curated by ChEMBL


Assay Description
Displacement of 125I[Sar,Ile] from rabbit aorta membrane Angiotensin II receptor type 1

Bioorg Med Chem Lett 4: 115-120 (1994)


Article DOI: 10.1016/S0960-894X(01)81132-X
BindingDB Entry DOI: 10.7270/Q2057FT4
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50039919
PNG
(4'-[3-Butyl-1-(2,6-dichloro-phenyl)-5-oxo-1,5-dihy...)
Show SMILES CCCCc1nn(-c2c(Cl)cccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1 |(.21,-2.67,;1.31,-3.74,;2.78,-3.34,;3.9,-4.42,;5.37,-4,;5.91,-2.57,;7.45,-2.62,;8.41,-1.41,;7.84,.02,;6.3,.23,;8.78,1.21,;10.31,1,;10.88,-.44,;9.92,-1.64,;10.48,-3.09,;7.87,-4.11,;9.31,-4.65,;6.59,-4.95,;6.52,-6.49,;7.82,-7.33,;7.73,-8.87,;9.04,-9.69,;10.41,-8.98,;10.46,-7.43,;9.17,-6.61,;11.7,-9.8,;11.63,-11.35,;12.93,-12.16,;14.29,-11.46,;14.36,-9.9,;13.05,-9.08,;13.11,-7.54,;14.65,-7.54,;11.57,-7.54,;13.1,-6,;14.43,-5.23,;14.42,-3.69,;15.77,-5.98,;15.78,-7.52,;17.11,-8.28,;18.44,-7.5,;18.42,-5.96,;17.09,-5.2,)|
Show InChI InChI=1S/C32H28Cl2N4O4S/c1-2-3-16-29-35-38(30-26(33)13-9-14-27(30)34)32(40)37(29)21-22-17-19-23(20-18-22)25-12-7-8-15-28(25)43(41,42)36-31(39)24-10-5-4-6-11-24/h4-15,17-20H,2-3,16,21H2,1H3,(H,36,39)
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TBA

Curated by ChEMBL


Assay Description
Displacement of 125I[Sar,Ile] from rabbit aorta membrane Angiotensin II receptor type 1

Bioorg Med Chem Lett 4: 115-120 (1994)


Article DOI: 10.1016/S0960-894X(01)81132-X
BindingDB Entry DOI: 10.7270/Q2057FT4
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50039915
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCCCCC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCCC)nn(-c3ccccc3C(F)(F)F)c2=O)cc1
Show InChI InChI=1S/C34H39F3N4O4S/c1-3-5-7-8-9-19-32(42)39-46(44,45)30-17-13-10-14-27(30)26-22-20-25(21-23-26)24-40-31(18-6-4-2)38-41(33(40)43)29-16-12-11-15-28(29)34(35,36)37/h10-17,20-23H,3-9,18-19,24H2,1-2H3,(H,39,42)
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TBA

Curated by ChEMBL


Assay Description
Displacement of 125I[Sar,Ile] from rabbit aorta membrane Angiotensin II receptor type 1

Bioorg Med Chem Lett 4: 115-120 (1994)


Article DOI: 10.1016/S0960-894X(01)81132-X
BindingDB Entry DOI: 10.7270/Q2057FT4
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50039925
PNG
(4''-[3-Butyl-1-(2,2-dimethyl-propyl)-5-oxo-1,5-dih...)
Show SMILES CCCCc1nn(CC(C)(C)C)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C31H36N4O4S/c1-5-6-16-28-32-35(22-31(2,3)4)30(37)34(28)21-23-17-19-24(20-18-23)26-14-10-11-15-27(26)40(38,39)33-29(36)25-12-8-7-9-13-25/h7-15,17-20H,5-6,16,21-22H2,1-4H3,(H,33,36)
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TBA

Curated by ChEMBL


Assay Description
Displacement of 125I[Sar,Ile] from rabbit aorta membrane Angiotensin II receptor type 1

Bioorg Med Chem Lett 4: 115-120 (1994)


Article DOI: 10.1016/S0960-894X(01)81132-X
BindingDB Entry DOI: 10.7270/Q2057FT4
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50044479
PNG
(5-Butyl-2-(2,6-dichloro-phenyl)-4-[2'-(2H-tetrazol...)
Show SMILES CCCCc1nn(-c2c(Cl)cccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |(2.26,-2.77,;3.37,-3.86,;4.83,-3.44,;5.95,-4.52,;7.42,-4.11,;7.96,-2.67,;9.5,-2.74,;10.45,-1.52,;9.89,-.1,;8.36,.12,;10.83,1.11,;12.36,.89,;12.93,-.54,;11.97,-1.76,;12.53,-3.19,;9.92,-4.22,;11.36,-4.76,;8.64,-5.07,;8.57,-6.61,;9.86,-7.42,;9.78,-8.96,;11.08,-9.79,;12.45,-9.08,;12.51,-7.54,;11.22,-6.72,;13.74,-9.9,;13.67,-11.45,;14.97,-12.27,;16.33,-11.55,;16.4,-10.01,;15.09,-9.2,;15.16,-7.66,;16.44,-6.79,;16.02,-5.32,;14.48,-5.25,;13.95,-6.7,)|
Show InChI InChI=1S/C26H23Cl2N7O/c1-2-3-11-23-31-35(24-21(27)9-6-10-22(24)28)26(36)34(23)16-17-12-14-18(15-13-17)19-7-4-5-8-20(19)25-29-32-33-30-25/h4-10,12-15H,2-3,11,16H2,1H3,(H,29,30,32,33)
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n/an/a 5.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of 125I[Sar,Ile] from rabbit aorta membrane Angiotensin II receptor type 1

Bioorg Med Chem Lett 4: 115-120 (1994)


Article DOI: 10.1016/S0960-894X(01)81132-X
BindingDB Entry DOI: 10.7270/Q2057FT4
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)		BDBM50030727
PNG
(4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C33H29F3N4O4S/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/h4-16,18-21H,2-3,17,22H2,1H3,(H,38,41)
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n/an/a 270n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound towards Angiotensin II receptor, type 2 to displace 125I[Sar,Ile] from rat adrenal tissue preparation

Bioorg Med Chem Lett 4: 115-120 (1994)


Article DOI: 10.1016/S0960-894X(01)81132-X
BindingDB Entry DOI: 10.7270/Q2057FT4
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)		BDBM50030727
PNG
(4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C33H29F3N4O4S/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/h4-16,18-21H,2-3,17,22H2,1H3,(H,38,41)
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n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound towards Angiotensin II receptor, type 2 to displace 125I[Sar,Ile] from rat brain tissue preparation

Bioorg Med Chem Lett 4: 115-120 (1994)


Article DOI: 10.1016/S0960-894X(01)81132-X
BindingDB Entry DOI: 10.7270/Q2057FT4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%