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Compile Data Set for Download or QSAR

Found 206 hits of ki for UniProtKB: P29089   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Type-1 angiotensin II receptor B


(RAT)
BDBM50091105
PNG
(4''-Oxazol-2-yl-biphenyl-2-sulfonic acid (3,4-dime...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2ncco2)c1C
Show InChI InChI=1S/C20H17N3O4S/c1-13-14(2)22-27-19(13)23-28(24,25)18-6-4-3-5-17(18)15-7-9-16(10-8-15)20-21-11-12-26-20/h3-12,23H,1-2H3
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>0.000100n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards rat Angiotensin II receptor, type 1


J Med Chem 45: 3829-35 (2002)


BindingDB Entry DOI: 10.7270/Q2Z60NDM
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50240609
PNG
(2-Ethoxy-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...)
Show SMILES CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)
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0.120n/an/an/an/an/an/an/an/a



Shinshu University

Curated by PDSP Ki Database




Fundam Clin Pharmacol 16: 317-23 (2002)


Article DOI: 10.1046/j.1472-8206.2002.00076.x
BindingDB Entry DOI: 10.7270/Q2697259
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50469937
PNG
(CHEMBL104493)
Show SMILES CCc1nc(C2CC2)c(C(=O)NCC(C)C)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C29H30BrF3N4O4S/c1-4-23-35-25(18-10-11-18)26(28(38)34-14-16(2)3)37(23)15-17-9-12-22-20(13-17)24(30)27(41-22)19-7-5-6-8-21(19)36-42(39,40)29(31,32)33/h5-9,12-13,16,18,36H,4,10-11,14-15H2,1-3H3,(H,34,38)
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0.126n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver


J Med Chem 37: 3108-20 (1994)


Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50370684
PNG
(CHEMBL1791349)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C49H71N13O10/c1-6-29(4)41(46(69)58-36(24-32-25-53-27-55-32)47(70)62-21-11-15-38(62)44(67)59-37(48(71)72)23-30-12-8-7-9-13-30)61-43(66)35(22-31-16-18-33(63)19-17-31)57-45(68)40(28(2)3)60-42(65)34(56-39(64)26-52-5)14-10-20-54-49(50)51/h7-9,12-13,16-19,25,27-29,34-38,40-41,52,63H,6,10-11,14-15,20-24,26H2,1-5H3,(H,53,55)(H,56,64)(H,57,68)(H,58,69)(H,59,67)(H,60,65)(H,61,66)(H,71,72)(H4,50,51,54)/t29-,34+,35+,36+,37+,38+,40+,41+/m1/s1
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0.160n/an/an/an/an/an/a7.4n/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for angiotensin II receptor, type 1 in rat liver membrane using [125I]-Ang II as radioligand, in pH 7.4 Tris-HCl buffer for 2 hr at ...


J Med Chem 48: 6620-31 (2005)


Article DOI: 10.1021/jm050280z
BindingDB Entry DOI: 10.7270/Q2HX1DG6
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM82077
PNG
(Angiotensin II | CAS_11128-99-7 | NSC_439662)
Show SMILES CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)C(N)CC(O)=O)C(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(C)=O |(1.13,.52,;1.58,1.99,;.53,3.12,;-.97,2.77,;.98,4.59,;2.48,4.94,;3.54,3.81,;3.08,2.34,;5.04,4.16,;5.49,5.63,;4.44,6.76,;2.93,6.41,;1.88,7.54,;2.33,9.01,;1.28,10.14,;3.84,9.36,;4.89,8.23,;6.09,3.03,;7.59,3.38,;8.04,4.85,;8.64,2.25,;10.14,2.6,;11.19,1.47,;10.74,-0,;12.69,1.82,;13.74,.69,;13.29,-.78,;14.34,-1.91,;13.89,-3.38,;12.39,-3.73,;11.94,-5.2,;11.34,-2.6,;13.14,3.29,;14.64,3.64,;15.69,2.51,;15.09,5.11,;14.04,6.24,;16.59,5.46,;17.04,6.93,;15.99,8.06,;18.54,7.28,;8.19,.78,;9.24,-.35,;6.69,.43,;-.07,5.72,;.38,7.19,;-1.57,5.37,;-2.62,6.5,;-2.17,7.97,;-3.22,9.1,;-2.92,10.61,;-4.27,11.35,;-5.4,10.3,;-4.75,8.91,;-4.12,6.15,;-4.57,4.68,;-5.17,7.28,;-6.67,6.93,;-6.64,5.39,;-7.96,4.6,;-9.38,5.2,;-10.39,4.04,;-9.6,2.72,;-8.1,3.06,;-7.72,8.06,;-7.27,9.53,;-9.22,7.71,;-10.38,8.72,;-11.7,7.93,;-11.36,6.43,;-9.82,6.29,;-10.42,4.87,;-10.87,3.4,;-11.95,4.69,;-12.55,3.27,;-14.08,3.08,;-14.68,1.66,;-13.76,.43,;-14.36,-.98,;-15.89,-1.17,;-16.81,.06,;-16.21,1.48,;-11.63,2.04,;-10.1,2.23,;-12.23,.62,)|
Show InChI InChI=1S/C57H80N16O12/c1-6-32(4)48(72-52(81)42(23-35-16-18-38(75)19-17-35)68-54(83)47(31(2)3)71-50(79)40(14-10-20-63-57(59)60)66-49(78)39(58)26-46(76)77)55(84)69-43(24-36-27-61-29-64-36)51(80)70-44(25-37-28-62-30-65-37)56(85)73-21-11-15-45(73)53(82)67-41(33(5)74)22-34-12-8-7-9-13-34/h7-9,12-13,16-19,27-32,39-45,47-48,75H,6,10-11,14-15,20-26,58H2,1-5H3,(H,61,64)(H,62,65)(H,66,78)(H,67,82)(H,68,83)(H,69,84)(H,70,80)(H,71,79)(H,72,81)(H,76,77)(H4,59,60,63)
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0.210n/an/an/an/an/an/an/an/a



Shinshu University

Curated by PDSP Ki Database




Fundam Clin Pharmacol 16: 317-23 (2002)


Article DOI: 10.1046/j.1472-8206.2002.00076.x
BindingDB Entry DOI: 10.7270/Q2697259
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50015662
PNG
(3-Amino-N-{1-[5-[2-[2-(1-carboxy-2-phenyl-ethylcar...)
Show SMILES N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCSSCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C47H63N13O12S2/c48-30(23-38(62)63)39(64)54-31(8-4-16-52-47(49)50)40(65)55-32-14-18-73-74-19-15-33(56-43(68)34(57-41(32)66)20-27-10-12-29(61)13-11-27)42(67)58-35(22-28-24-51-25-53-28)45(70)60-17-5-9-37(60)44(69)59-36(46(71)72)21-26-6-2-1-3-7-26/h1-3,6-7,10-13,24-25,30-37,61H,4-5,8-9,14-23,48H2,(H,51,53)(H,54,64)(H,55,65)(H,56,68)(H,57,66)(H,58,67)(H,59,69)(H,62,63)(H,71,72)(H4,49,50,52)/t30-,31-,32-,33-,34-,35-,36-,37-/m0/s1
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0.230n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro binding affinity at rat liver Angiotensin II receptor, type 1 was determined based on displacement of [125I]-Ang II


J Med Chem 45: 1767-77 (2002)


BindingDB Entry DOI: 10.7270/Q2QV3N7W
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50469896
PNG
(CHEMBL326910)
Show SMILES CCCc1nc(C)c(C(=O)NCC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C26H26BrF3N4O4S/c1-4-8-21-32-15(3)23(25(35)31-5-2)34(21)14-16-11-12-20-18(13-16)22(27)24(38-20)17-9-6-7-10-19(17)33-39(36,37)26(28,29)30/h6-7,9-13,33H,4-5,8,14H2,1-3H3,(H,31,35)
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0.316n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver


J Med Chem 37: 3108-20 (1994)


Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50469939
PNG
(CHEMBL323125)
Show SMILES CCNC(=O)c1c(nc(CC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1-c1nn[nH]n1)C1CC1
Show InChI InChI=1S/C27H26BrN7O2/c1-3-21-30-23(16-10-11-16)24(27(36)29-4-2)35(21)14-15-9-12-20-19(13-15)22(28)25(37-20)17-7-5-6-8-18(17)26-31-33-34-32-26/h5-9,12-13,16H,3-4,10-11,14H2,1-2H3,(H,29,36)(H,31,32,33,34)
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0.398n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver


J Med Chem 37: 3108-20 (1994)


Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50469890
PNG
(CHEMBL63072)
Show SMILES CCc1nc(C2CC2)c(C(=O)NC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C26H24BrF3N4O4S/c1-3-20-32-22(15-9-10-15)23(25(35)31-2)34(20)13-14-8-11-19-17(12-14)21(27)24(38-19)16-6-4-5-7-18(16)33-39(36,37)26(28,29)30/h4-8,11-12,15,33H,3,9-10,13H2,1-2H3,(H,31,35)
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0.398n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver


J Med Chem 37: 3108-20 (1994)


Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50228201
PNG
(CHEMBL265084)
Show SMILES CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O |wU:56.59,36.36,17.16,60.62,wD:43.43,24.23,6.5,(-1.11,-12.66,;-1.11,-11.12,;.24,-10.35,;1.55,-11.12,;1.55,-12.66,;2.9,-10.35,;4.24,-11.12,;4.24,-12.66,;5.56,-13.44,;5.56,-14.98,;6.9,-15.75,;6.9,-17.28,;8.25,-18.05,;5.56,-18.05,;5.56,-10.35,;5.56,-8.81,;6.9,-11.12,;8.25,-10.35,;8.25,-8.81,;9.56,-8.02,;6.9,-8.02,;9.56,-11.12,;9.56,-12.66,;10.91,-10.35,;12.25,-11.12,;12.25,-12.66,;13.57,-13.44,;13.57,-14.98,;14.91,-15.75,;16.26,-14.98,;17.57,-15.75,;16.26,-13.44,;14.91,-12.66,;13.57,-10.35,;13.57,-8.81,;14.91,-11.12,;16.26,-10.35,;16.26,-8.81,;17.57,-8.02,;14.91,-8.02,;17.57,-11.12,;17.57,-12.66,;18.92,-10.35,;20.27,-11.12,;20.27,-12.66,;20.81,-14.14,;20.59,-15.7,;22.19,-16.42,;23.31,-15.06,;22.28,-13.86,;21.58,-10.35,;21.58,-8.81,;22.93,-11.12,;23.09,-12.66,;24.59,-12.98,;25.36,-11.64,;24.34,-10.49,;24.66,-8.98,;26.13,-8.5,;23.5,-7.96,;23.85,-6.45,;25.39,-5.8,;26.45,-4.72,;25.97,-3.27,;27,-2.13,;28.5,-2.47,;28.98,-3.94,;27.93,-5.04,;29.56,-1.32,;29.08,.15,;30.14,1.3,;31.66,.98,;32.12,-.51,;31.09,-1.65,;22.7,-5.42,;23.02,-3.91,;21.23,-5.9,)|
Show InChI InChI=1S/C54H73N13O10/c1-31(2)45(65-47(70)39(61-44(69)29-57-5)13-9-23-59-54(55)56)50(73)62-40(25-34-17-21-38(68)22-18-34)48(71)66-46(32(3)4)51(74)63-41(27-37-28-58-30-60-37)52(75)67-24-10-14-43(67)49(72)64-42(53(76)77)26-33-15-19-36(20-16-33)35-11-7-6-8-12-35/h6-8,11-12,15-22,28,30-32,39-43,45-46,57,68H,9-10,13-14,23-27,29H2,1-5H3,(H,58,60)(H,61,69)(H,62,73)(H,63,74)(H,64,72)(H,65,70)(H,66,71)(H,76,77)(H4,55,56,59)/t39-,40-,41-,42+,43+,45-,46-/m0/s1
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0.460n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand [Sar1,Ile5,8]AII binding to angiotensin II receptor in rat brain


J Med Chem 32: 898-903 (1989)


BindingDB Entry DOI: 10.7270/Q2FJ2K0Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50469901
PNG
(GR-138950 | SAPRISARTAN)
Show SMILES CCc1nc(C2CC2)c(C(N)=O)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C25H22BrF3N4O4S/c1-2-19-31-21(14-8-9-14)22(24(30)34)33(19)12-13-7-10-18-16(11-13)20(26)23(37-18)15-5-3-4-6-17(15)32-38(35,36)25(27,28)29/h3-7,10-11,14,32H,2,8-9,12H2,1H3,(H2,30,34)
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0.501n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver


J Med Chem 37: 3108-20 (1994)


Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50287291
PNG
(CHEMBL35381 | N-[5-Ethyl-3-[2'-(1H-tetrazol-5-yl)-...)
Show SMILES CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=NC(=O)c2ccccc2C(O)=O)s1 |w:24.27|
Show InChI InChI=1S/C26H21N7O3S/c1-2-22-30-33(26(37-22)27-24(34)20-9-5-6-10-21(20)25(35)36)15-16-11-13-17(14-12-16)18-7-3-4-8-19(18)23-28-31-32-29-23/h3-14H,2,15H2,1H3,(H,35,36)(H,28,29,31,32)
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0.619n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of binding of [125I]All at the angiotensin II type 1 receptor (AT1 receptor) in rat liver membranes


Citation and Details

BindingDB Entry DOI: 10.7270/Q29S1T6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50469888
PNG
(CHEMBL104667)
Show SMILES CCNC(=O)c1c(nc(CC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F)C1CC1
Show InChI InChI=1S/C27H26BrF3N4O4S/c1-3-21-33-23(16-10-11-16)24(26(36)32-4-2)35(21)14-15-9-12-20-18(13-15)22(28)25(39-20)17-7-5-6-8-19(17)34-40(37,38)27(29,30)31/h5-9,12-13,16,34H,3-4,10-11,14H2,1-2H3,(H,32,36)
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0.631n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver


J Med Chem 37: 3108-20 (1994)


Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50287290
PNG
(CHEMBL34866 | KRH-594 | Potassium; 2-[5-ethyl-3-[2...)
Show SMILES CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=NC(=O)C2=C(CCC2)C([O-])=O)s1 |w:24.27,t:30|
Show InChI InChI=1S/C25H23N7O3S/c1-2-21-29-32(25(36-21)26-23(33)19-8-5-9-20(19)24(34)35)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-30-31-28-22/h3-4,6-7,10-13H,2,5,8-9,14H2,1H3,(H,34,35)(H,27,28,30,31)/p-1
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0.670n/an/an/an/an/an/an/an/a



Shinshu University

Curated by PDSP Ki Database




Fundam Clin Pharmacol 16: 317-23 (2002)


Article DOI: 10.1046/j.1472-8206.2002.00076.x
BindingDB Entry DOI: 10.7270/Q2697259
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50228201
PNG
(CHEMBL265084)
Show SMILES CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O |wU:56.59,36.36,17.16,60.62,wD:43.43,24.23,6.5,(-1.11,-12.66,;-1.11,-11.12,;.24,-10.35,;1.55,-11.12,;1.55,-12.66,;2.9,-10.35,;4.24,-11.12,;4.24,-12.66,;5.56,-13.44,;5.56,-14.98,;6.9,-15.75,;6.9,-17.28,;8.25,-18.05,;5.56,-18.05,;5.56,-10.35,;5.56,-8.81,;6.9,-11.12,;8.25,-10.35,;8.25,-8.81,;9.56,-8.02,;6.9,-8.02,;9.56,-11.12,;9.56,-12.66,;10.91,-10.35,;12.25,-11.12,;12.25,-12.66,;13.57,-13.44,;13.57,-14.98,;14.91,-15.75,;16.26,-14.98,;17.57,-15.75,;16.26,-13.44,;14.91,-12.66,;13.57,-10.35,;13.57,-8.81,;14.91,-11.12,;16.26,-10.35,;16.26,-8.81,;17.57,-8.02,;14.91,-8.02,;17.57,-11.12,;17.57,-12.66,;18.92,-10.35,;20.27,-11.12,;20.27,-12.66,;20.81,-14.14,;20.59,-15.7,;22.19,-16.42,;23.31,-15.06,;22.28,-13.86,;21.58,-10.35,;21.58,-8.81,;22.93,-11.12,;23.09,-12.66,;24.59,-12.98,;25.36,-11.64,;24.34,-10.49,;24.66,-8.98,;26.13,-8.5,;23.5,-7.96,;23.85,-6.45,;25.39,-5.8,;26.45,-4.72,;25.97,-3.27,;27,-2.13,;28.5,-2.47,;28.98,-3.94,;27.93,-5.04,;29.56,-1.32,;29.08,.15,;30.14,1.3,;31.66,.98,;32.12,-.51,;31.09,-1.65,;22.7,-5.42,;23.02,-3.91,;21.23,-5.9,)|
Show InChI InChI=1S/C54H73N13O10/c1-31(2)45(65-47(70)39(61-44(69)29-57-5)13-9-23-59-54(55)56)50(73)62-40(25-34-17-21-38(68)22-18-34)48(71)66-46(32(3)4)51(74)63-41(27-37-28-58-30-60-37)52(75)67-24-10-14-43(67)49(72)64-42(53(76)77)26-33-15-19-36(20-16-33)35-11-7-6-8-12-35/h6-8,11-12,15-22,28,30-32,39-43,45-46,57,68H,9-10,13-14,23-27,29H2,1-5H3,(H,58,60)(H,61,69)(H,62,73)(H,63,74)(H,64,72)(H,65,70)(H,66,71)(H,76,77)(H4,55,56,59)/t39-,40-,41-,42+,43+,45-,46-/m0/s1
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0.740n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand [Sar1,Ile5,8]AII binding to angiotensin II receptor in rat uterus


J Med Chem 32: 898-903 (1989)


BindingDB Entry DOI: 10.7270/Q2FJ2K0Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50003154
PNG
(2-{Propyl-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1ncccc1C(O)=O
Show InChI InChI=1S/C23H22N6O2/c1-2-14-29(22-20(23(30)31)8-5-13-24-22)15-16-9-11-17(12-10-16)18-6-3-4-7-19(18)21-25-27-28-26-21/h3-13H,2,14-15H2,1H3,(H,30,31)(H,25,26,27,28)
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0.760n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against angiotensin II receptor, type 1 in rat liver


J Med Chem 35: 3714-7 (1992)


BindingDB Entry DOI: 10.7270/Q2H41QCN
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50469886
PNG
(CHEMBL107006)
Show SMILES CCc1nc(CC)n(Cc2ccc3oc(c(Br)c3c2)-c2ccccc2NS(=O)(=O)C(F)(F)F)c1C(N)=O
Show InChI InChI=1S/C24H22BrF3N4O4S/c1-3-16-21(23(29)33)32(19(4-2)30-16)12-13-9-10-18-15(11-13)20(25)22(36-18)14-7-5-6-8-17(14)31-37(34,35)24(26,27)28/h5-11,31H,3-4,12H2,1-2H3,(H2,29,33)
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0.794n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver


J Med Chem 37: 3108-20 (1994)


Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50469892
PNG
(CHEMBL107081)
Show SMILES CCCc1nc(C)c(C(N)=O)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C24H22BrF3N4O4S/c1-3-6-19-30-13(2)21(23(29)33)32(19)12-14-9-10-18-16(11-14)20(25)22(36-18)15-7-4-5-8-17(15)31-37(34,35)24(26,27)28/h4-5,7-11,31H,3,6,12H2,1-2H3,(H2,29,33)
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0.794n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver


J Med Chem 37: 3108-20 (1994)


Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50042235
PNG
(2-butyl-3-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4...)
Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4|
Show InChI InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)
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0.800n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards rat Angiotensin II receptor, type 1


J Med Chem 45: 3829-35 (2002)


BindingDB Entry DOI: 10.7270/Q2Z60NDM
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50449917
PNG
(BMS-180560 | CHEMBL2021417)
Show SMILES [Li+].[Li]O.CCCCc1nc(Cl)c(C([O-])=O)n1Cc1cccc2n(ccc12)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C24H22ClN7O2.2Li.H2O/c1-2-3-11-20-26-22(25)21(24(33)34)32(20)14-15-7-6-10-18-16(15)12-13-31(18)19-9-5-4-8-17(19)23-27-29-30-28-23;;;/h4-10,12-13H,2-3,11,14H2,1H3,(H,33,34)(H,27,28,29,30);;;1H2/q;2*+1;/p-2
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0.800n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 determined using [125I]- labeled [Sar1,Ile8] angiotensin II in rat adrenocortical membranes


Bioorg Med Chem Lett 4: 145-150 (1994)


Article DOI: 10.1016/S0960-894X(01)81137-9
BindingDB Entry DOI: 10.7270/Q2V988KF
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50228204
PNG
(CHEMBL405389)
Show SMILES CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(O)=O |wU:56.59,36.36,17.16,wD:60.62,43.43,24.23,6.5,(2.9,-15.86,;2.9,-14.33,;4.23,-13.56,;5.56,-14.33,;5.56,-15.86,;6.9,-13.56,;8.24,-14.33,;8.24,-15.86,;9.56,-16.64,;9.56,-18.18,;10.91,-18.95,;10.91,-20.49,;12.24,-21.26,;9.56,-21.26,;9.56,-13.56,;9.56,-12.02,;10.91,-14.33,;12.24,-13.56,;12.24,-12.02,;13.57,-11.23,;10.91,-11.23,;13.57,-14.33,;13.57,-15.86,;14.91,-13.56,;16.25,-14.33,;16.25,-15.86,;17.57,-16.64,;17.57,-18.18,;18.92,-18.95,;20.25,-18.18,;21.58,-18.95,;20.25,-16.64,;18.92,-15.86,;17.57,-13.56,;17.57,-12.02,;18.92,-14.33,;20.25,-13.56,;20.25,-12.02,;21.58,-11.23,;18.92,-11.23,;21.58,-14.33,;21.58,-15.86,;22.93,-13.56,;24.26,-14.33,;24.26,-15.86,;24.82,-17.35,;24.98,-18.88,;26.48,-19.2,;27.27,-17.86,;26.23,-16.71,;25.59,-13.56,;25.59,-12.02,;26.93,-14.33,;27.09,-15.86,;28.6,-16.18,;29.37,-14.85,;28.34,-13.7,;28.66,-12.19,;30.13,-11.71,;27.51,-11.16,;27.85,-9.66,;29.3,-9.18,;29.62,-7.67,;31.09,-7.19,;31.41,-5.68,;30.26,-4.65,;28.79,-5.13,;28.47,-6.63,;30.84,-9.18,;31.6,-10.49,;33.14,-10.49,;33.89,-9.17,;33.12,-7.83,;31.58,-7.85,;26.7,-8.62,;27.02,-7.11,;25.23,-9.1,)|
Show InChI InChI=1S/C54H73N13O10/c1-31(2)44(64-47(70)38(61-42(69)29-57-5)18-12-24-59-54(55)56)50(73)62-39(26-33-20-22-37(68)23-21-33)48(71)65-45(32(3)4)51(74)63-40(27-36-28-58-30-60-36)52(75)67-25-13-19-41(67)49(72)66-46(53(76)77)43(34-14-8-6-9-15-34)35-16-10-7-11-17-35/h6-11,14-17,20-23,28,30-32,38-41,43-46,57,68H,12-13,18-19,24-27,29H2,1-5H3,(H,58,60)(H,61,69)(H,62,73)(H,63,74)(H,64,70)(H,65,71)(H,66,72)(H,76,77)(H4,55,56,59)/t38-,39-,40-,41+,44-,45-,46-/m0/s1
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0.850n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand [Sar1,Ile5,8]AII binding to angiotensin II receptor in rat brain


J Med Chem 32: 898-903 (1989)


BindingDB Entry DOI: 10.7270/Q2FJ2K0Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50006909
PNG
(2-Butyl-5-chloro-3-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H21ClN6O2/c1-2-3-8-18-24-20(23)19(22(30)31)29(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,30,31)(H,25,26,27,28)
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0.970n/an/an/an/an/an/an/an/a



Shinshu University

Curated by PDSP Ki Database




Fundam Clin Pharmacol 16: 317-23 (2002)


Article DOI: 10.1046/j.1472-8206.2002.00076.x
BindingDB Entry DOI: 10.7270/Q2697259
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50469940
PNG
(CHEMBL105887)
Show SMILES CCCc1nc(C)c(C(=O)NC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C25H24BrF3N4O4S/c1-4-7-20-31-14(2)22(24(34)30-3)33(20)13-15-10-11-19-17(12-15)21(26)23(37-19)16-8-5-6-9-18(16)32-38(35,36)25(27,28)29/h5-6,8-12,32H,4,7,13H2,1-3H3,(H,30,34)
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1n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver


J Med Chem 37: 3108-20 (1994)


Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50469893
PNG
(CHEMBL104418)
Show SMILES CCCc1nc(Cl)c(C(=O)NCC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C25H23BrClF3N4O4S/c1-3-7-19-32-23(27)21(24(35)31-4-2)34(19)13-14-10-11-18-16(12-14)20(26)22(38-18)15-8-5-6-9-17(15)33-39(36,37)25(28,29)30/h5-6,8-12,33H,3-4,7,13H2,1-2H3,(H,31,35)
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1n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver


J Med Chem 37: 3108-20 (1994)


Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50228203
PNG
(CHEMBL262025)
Show SMILES CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O |wU:56.59,36.36,17.16,wD:43.43,24.23,60.62,6.5,(-1.11,-12.7,;-1.11,-11.16,;.24,-10.39,;1.55,-11.16,;1.55,-12.7,;2.9,-10.39,;4.24,-11.16,;4.24,-12.7,;5.56,-13.47,;5.56,-15.01,;6.9,-15.78,;6.9,-17.32,;8.25,-18.09,;5.56,-18.09,;5.56,-10.39,;5.56,-8.86,;6.9,-11.16,;8.25,-10.39,;8.25,-8.86,;9.56,-8.05,;6.9,-8.05,;9.56,-11.16,;9.56,-12.7,;10.91,-10.39,;12.25,-11.16,;12.25,-12.7,;13.57,-13.47,;13.57,-15.01,;14.91,-15.78,;16.26,-15.01,;17.57,-15.78,;16.26,-13.47,;14.91,-12.7,;13.57,-10.39,;13.57,-8.86,;14.91,-11.16,;16.26,-10.39,;16.26,-8.86,;17.57,-8.05,;14.91,-8.05,;17.57,-11.16,;17.57,-12.7,;18.92,-10.39,;20.27,-11.16,;20.27,-12.7,;20.81,-14.18,;20.59,-15.75,;22.19,-16.45,;23.31,-15.11,;22.28,-13.91,;21.58,-10.39,;21.58,-8.86,;22.93,-11.16,;23.09,-12.7,;24.59,-13.02,;25.36,-11.68,;24.34,-10.52,;24.66,-9.02,;26.13,-8.54,;23.5,-7.99,;23.85,-6.48,;25.39,-5.84,;26.45,-4.75,;25.97,-3.31,;27,-2.18,;28.5,-2.51,;28.98,-3.98,;27.93,-5.1,;29.56,-1.36,;29.08,.12,;30.14,1.27,;31.66,.93,;32.12,-.56,;31.09,-1.7,;22.7,-5.46,;23.02,-3.95,;21.23,-5.94,)|
Show InChI InChI=1S/C54H73N13O10/c1-31(2)45(65-47(70)39(61-44(69)29-57-5)13-9-23-59-54(55)56)50(73)62-40(25-34-17-21-38(68)22-18-34)48(71)66-46(32(3)4)51(74)63-41(27-37-28-58-30-60-37)52(75)67-24-10-14-43(67)49(72)64-42(53(76)77)26-33-15-19-36(20-16-33)35-11-7-6-8-12-35/h6-8,11-12,15-22,28,30-32,39-43,45-46,57,68H,9-10,13-14,23-27,29H2,1-5H3,(H,58,60)(H,61,69)(H,62,73)(H,63,74)(H,64,72)(H,65,70)(H,66,71)(H,76,77)(H4,55,56,59)/t39-,40-,41-,42-,43+,45-,46-/m0/s1
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1n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand [Sar1,Ile5,8]AII binding to angiotensin II receptor in rat brain


J Med Chem 32: 898-903 (1989)


BindingDB Entry DOI: 10.7270/Q2FJ2K0Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50004154
PNG
(2-Butyl-4-chloro-6-methyl-1-[2'-(1H-tetrazol-5-yl)...)
Show SMILES CCCCC1=NC(Cl)=C(C(C)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(O)=O |c:7,t:4|
Show InChI InChI=1S/C24H25ClN6O2/c1-3-4-9-20-26-22(25)21(24(32)33)15(2)31(20)14-16-10-12-17(13-11-16)18-7-5-6-8-19(18)23-27-29-30-28-23/h5-8,10-13,15H,3-4,9,14H2,1-2H3,(H,32,33)(H,27,28,29,30)
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor


J Med Chem 35: 4751-63 (1993)


BindingDB Entry DOI: 10.7270/Q2VH5PFJ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50039364
PNG
(5-Methyl-7-propyl-8-[2'-(1H-tetrazol-5-yl)-bipheny...)
Show SMILES CCCc1nc(C)n2nc(N)nc2c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C23H23N9/c1-3-6-20-19(22-26-23(24)29-32(22)14(2)25-20)13-15-9-11-16(12-10-15)17-7-4-5-8-18(17)21-27-30-31-28-21/h4-5,7-12H,3,6,13H2,1-2H3,(H2,24,29)(H,27,28,30,31)
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1n/an/an/an/an/an/an/an/a



Carpibem

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II from rat adrenal Angiotensin-1 (AT-1) receptor


J Med Chem 37: 2371-86 (1994)


BindingDB Entry DOI: 10.7270/Q2DR2TJS
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50469897
PNG
(CHEMBL104281)
Show SMILES CCc1nc(C2CC2)c(C(N)=O)n1Cc1ccc2oc(c(c2c1)C(F)(F)F)-c1ccccc1NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C26H22F6N4O4S/c1-2-19-34-21(14-8-9-14)22(24(33)37)36(19)12-13-7-10-18-16(11-13)20(25(27,28)29)23(40-18)15-5-3-4-6-17(15)35-41(38,39)26(30,31)32/h3-7,10-11,14,35H,2,8-9,12H2,1H3,(H2,33,37)
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1n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver


J Med Chem 37: 3108-20 (1994)


Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50004155
PNG
(2-Butyl-6-chloro-4,4-dimethyl-1-[2'-(1H-tetrazol-5...)
Show SMILES CCCCC1=NC(C)(C)C(C(=O)OCC)=C(Cl)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4,14|
Show InChI InChI=1S/C27H31ClN6O2/c1-5-7-12-22-29-27(3,4)23(26(35)36-6-2)24(28)34(22)17-18-13-15-19(16-14-18)20-10-8-9-11-21(20)25-30-32-33-31-25/h8-11,13-16H,5-7,12,17H2,1-4H3,(H,30,31,32,33)
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1.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor


J Med Chem 35: 4751-63 (1993)


BindingDB Entry DOI: 10.7270/Q2VH5PFJ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50228204
PNG
(CHEMBL405389)
Show SMILES CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(O)=O |wU:56.59,36.36,17.16,wD:60.62,43.43,24.23,6.5,(2.9,-15.86,;2.9,-14.33,;4.23,-13.56,;5.56,-14.33,;5.56,-15.86,;6.9,-13.56,;8.24,-14.33,;8.24,-15.86,;9.56,-16.64,;9.56,-18.18,;10.91,-18.95,;10.91,-20.49,;12.24,-21.26,;9.56,-21.26,;9.56,-13.56,;9.56,-12.02,;10.91,-14.33,;12.24,-13.56,;12.24,-12.02,;13.57,-11.23,;10.91,-11.23,;13.57,-14.33,;13.57,-15.86,;14.91,-13.56,;16.25,-14.33,;16.25,-15.86,;17.57,-16.64,;17.57,-18.18,;18.92,-18.95,;20.25,-18.18,;21.58,-18.95,;20.25,-16.64,;18.92,-15.86,;17.57,-13.56,;17.57,-12.02,;18.92,-14.33,;20.25,-13.56,;20.25,-12.02,;21.58,-11.23,;18.92,-11.23,;21.58,-14.33,;21.58,-15.86,;22.93,-13.56,;24.26,-14.33,;24.26,-15.86,;24.82,-17.35,;24.98,-18.88,;26.48,-19.2,;27.27,-17.86,;26.23,-16.71,;25.59,-13.56,;25.59,-12.02,;26.93,-14.33,;27.09,-15.86,;28.6,-16.18,;29.37,-14.85,;28.34,-13.7,;28.66,-12.19,;30.13,-11.71,;27.51,-11.16,;27.85,-9.66,;29.3,-9.18,;29.62,-7.67,;31.09,-7.19,;31.41,-5.68,;30.26,-4.65,;28.79,-5.13,;28.47,-6.63,;30.84,-9.18,;31.6,-10.49,;33.14,-10.49,;33.89,-9.17,;33.12,-7.83,;31.58,-7.85,;26.7,-8.62,;27.02,-7.11,;25.23,-9.1,)|
Show InChI InChI=1S/C54H73N13O10/c1-31(2)44(64-47(70)38(61-42(69)29-57-5)18-12-24-59-54(55)56)50(73)62-39(26-33-20-22-37(68)23-21-33)48(71)65-45(32(3)4)51(74)63-40(27-36-28-58-30-60-36)52(75)67-25-13-19-41(67)49(72)66-46(53(76)77)43(34-14-8-6-9-15-34)35-16-10-7-11-17-35/h6-11,14-17,20-23,28,30-32,38-41,43-46,57,68H,12-13,18-19,24-27,29H2,1-5H3,(H,58,60)(H,61,69)(H,62,73)(H,63,74)(H,64,70)(H,65,71)(H,66,72)(H,76,77)(H4,55,56,59)/t38-,39-,40-,41+,44-,45-,46-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand [Sar1,Ile5,8]AII binding to angiotensin II receptor in rat uterus


J Med Chem 32: 898-903 (1989)


BindingDB Entry DOI: 10.7270/Q2FJ2K0Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50469889
PNG
(CHEMBL62553)
Show SMILES CCNC(=O)c1c(C)nc(CC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C25H24BrF3N4O4S/c1-4-20-31-14(3)22(24(34)30-5-2)33(20)13-15-10-11-19-17(12-15)21(26)23(37-19)16-8-6-7-9-18(16)32-38(35,36)25(27,28)29/h6-12,32H,4-5,13H2,1-3H3,(H,30,34)
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1.30n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver


J Med Chem 37: 3108-20 (1994)


Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50469934
PNG
(CHEMBL324196)
Show SMILES CCc1nc(C2CC2)c(C(N)=O)n1Cc1ccc2oc(c(Cl)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C25H22ClF3N4O4S/c1-2-19-31-21(14-8-9-14)22(24(30)34)33(19)12-13-7-10-18-16(11-13)20(26)23(37-18)15-5-3-4-6-17(15)32-38(35,36)25(27,28)29/h3-7,10-11,14,32H,2,8-9,12H2,1H3,(H2,30,34)
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1.30n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver


J Med Chem 37: 3108-20 (1994)


Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50469935
PNG
(CHEMBL62909)
Show SMILES CCc1nc(C)c(C(N)=O)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C23H20BrF3N4O4S/c1-3-18-29-12(2)20(22(28)32)31(18)11-13-8-9-17-15(10-13)19(24)21(35-17)14-6-4-5-7-16(14)30-36(33,34)23(25,26)27/h4-10,30H,3,11H2,1-2H3,(H2,28,32)
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1.30n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver


J Med Chem 37: 3108-20 (1994)


Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50469938
PNG
(CHEMBL322989)
Show SMILES CCCc1nc(Cl)c(C(=O)NC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C24H21BrClF3N4O4S/c1-3-6-18-31-22(26)20(23(34)30-2)33(18)12-13-9-10-17-15(11-13)19(25)21(37-17)14-7-4-5-8-16(14)32-38(35,36)24(27,28)29/h4-5,7-11,32H,3,6,12H2,1-2H3,(H,30,34)
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1.30n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver


J Med Chem 37: 3108-20 (1994)


Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50236697
PNG
(5-L-isoleucineangiotensin II | 5-isoleucine-angiot...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:4.4,47.47,60.63,35.36,20.21,wD:2.2,24.32,8.17,64.66,(24.13,1.24,;24.1,-.31,;25.42,-1.09,;26.77,-.35,;25.4,-2.63,;24.05,-3.38,;22.73,-2.59,;22.75,-1.05,;21.38,-3.34,;21.36,-4.88,;22.68,-5.66,;24.01,-4.93,;25.33,-5.71,;25.32,-7.24,;26.64,-8.05,;23.97,-8.01,;22.65,-7.22,;20.06,-2.55,;18.71,-3.29,;18.68,-4.83,;17.38,-2.5,;16.04,-3.25,;14.72,-2.46,;14.74,-.92,;13.37,-3.2,;13.34,-4.74,;14.66,-5.53,;14.64,-7.08,;15.96,-7.87,;15.93,-9.4,;14.59,-10.16,;17.25,-10.21,;12.05,-2.42,;10.69,-3.15,;10.67,-4.69,;9.37,-2.36,;8.03,-3.1,;9.4,-.82,;10.75,-.07,;12.07,-.88,;10.78,1.47,;17.41,-.96,;18.76,-.21,;16.1,-.17,;26.72,-3.43,;26.69,-4.97,;28.07,-2.68,;29.38,-3.48,;30.73,-2.73,;30.75,-1.19,;29.53,-.27,;30.03,1.18,;31.57,1.17,;32.02,-.31,;29.35,-5.02,;28.01,-5.76,;30.54,-5.79,;31.99,-5.25,;32.95,-6.46,;32.1,-7.74,;30.62,-7.33,;29.33,-8.36,;27.89,-7.82,;29.58,-9.88,;28.39,-10.86,;26.95,-10.32,;25.76,-11.3,;26.02,-12.81,;24.84,-13.79,;23.4,-13.26,;23.14,-11.74,;24.32,-10.75,;28.64,-12.38,;27.45,-13.36,;30.08,-12.92,)|
Show InChI InChI=1S/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand [Sar1,Ile5,8]AII binding to angiotensin II receptor in rat brain


J Med Chem 32: 898-903 (1989)


BindingDB Entry DOI: 10.7270/Q2FJ2K0Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50228198
PNG
(CHEMBL414796)
Show SMILES CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)NC1(Cc2ccccc2C1)C(O)=O |wU:56.59,36.36,17.16,wD:43.43,24.23,6.5,(2.9,-15.88,;2.9,-14.34,;4.23,-13.57,;5.56,-14.34,;5.56,-15.88,;6.91,-13.57,;8.24,-14.34,;8.24,-15.88,;9.57,-16.66,;9.57,-18.2,;10.92,-18.97,;10.92,-20.51,;12.25,-21.28,;9.57,-21.28,;9.57,-13.57,;9.57,-12.03,;10.92,-14.34,;12.25,-13.57,;12.25,-12.03,;13.58,-11.24,;10.92,-11.24,;13.58,-14.34,;13.58,-15.88,;14.93,-13.57,;16.26,-14.34,;16.26,-15.88,;17.59,-16.66,;17.59,-18.2,;18.94,-18.97,;20.27,-18.2,;21.6,-18.97,;20.27,-16.66,;18.94,-15.88,;17.59,-13.57,;17.59,-12.03,;18.94,-14.34,;20.27,-13.57,;20.27,-12.03,;21.6,-11.24,;18.94,-11.24,;21.6,-14.34,;21.6,-15.88,;22.95,-13.57,;24.28,-14.34,;24.28,-15.88,;24.84,-17.37,;25,-18.9,;26.51,-19.22,;27.3,-17.88,;26.25,-16.72,;25.61,-13.57,;25.61,-12.03,;26.96,-14.34,;27.12,-15.88,;28.63,-16.2,;29.4,-14.86,;28.37,-13.71,;28.69,-12.2,;30.16,-11.72,;27.54,-11.17,;27.88,-9.67,;28.79,-8.42,;30.25,-8.9,;31.58,-8.13,;32.89,-8.9,;32.89,-10.44,;31.57,-11.21,;30.23,-10.44,;28.78,-10.92,;26.72,-8.63,;27.04,-7.12,;25.26,-9.11,)|
Show InChI InChI=1S/C49H69N13O10/c1-27(2)39(59-41(65)34(56-38(64)25-52-5)12-8-18-54-48(50)51)44(68)57-35(20-29-14-16-33(63)17-15-29)42(66)60-40(28(3)4)45(69)58-36(21-32-24-53-26-55-32)46(70)62-19-9-13-37(62)43(67)61-49(47(71)72)22-30-10-6-7-11-31(30)23-49/h6-7,10-11,14-17,24,26-28,34-37,39-40,52,63H,8-9,12-13,18-23,25H2,1-5H3,(H,53,55)(H,56,64)(H,57,68)(H,58,69)(H,59,65)(H,60,66)(H,61,67)(H,71,72)(H4,50,51,54)/t34-,35-,36-,37+,39-,40-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand [Sar1,Ile5,8]AII binding to angiotensin II receptor in rat uterus


J Med Chem 32: 898-903 (1989)


BindingDB Entry DOI: 10.7270/Q2FJ2K0Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50469899
PNG
(CHEMBL107967)
Show SMILES CCc1nc(C2CC2)c(C(N)=O)n1Cc1ccc2oc(c(CC)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C27H27F3N4O4S/c1-3-17-19-13-15(14-34-22(4-2)32-23(16-10-11-16)24(34)26(31)35)9-12-21(19)38-25(17)18-7-5-6-8-20(18)33-39(36,37)27(28,29)30/h5-9,12-13,16,33H,3-4,10-11,14H2,1-2H3,(H2,31,35)
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1.60n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver


J Med Chem 37: 3108-20 (1994)


Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50469887
PNG
(CHEMBL107043)
Show SMILES CCCCc1nc(Cl)c(C(=O)NC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C25H23BrClF3N4O4S/c1-3-4-9-19-32-23(27)21(24(35)31-2)34(19)13-14-10-11-18-16(12-14)20(26)22(38-18)15-7-5-6-8-17(15)33-39(36,37)25(28,29)30/h5-8,10-12,33H,3-4,9,13H2,1-2H3,(H,31,35)
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1.60n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver


J Med Chem 37: 3108-20 (1994)


Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50228200
PNG
(CHEMBL217516)
Show SMILES CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(O)=O |wU:60.62,56.59,36.36,17.16,wD:43.43,24.23,6.5,(2.9,-15.86,;2.9,-14.33,;4.23,-13.56,;5.56,-14.33,;5.56,-15.86,;6.9,-13.56,;8.24,-14.33,;8.24,-15.86,;9.56,-16.64,;9.56,-18.18,;10.91,-18.95,;10.91,-20.49,;12.24,-21.26,;9.56,-21.26,;9.56,-13.56,;9.56,-12.02,;10.91,-14.33,;12.24,-13.56,;12.24,-12.02,;13.57,-11.23,;10.91,-11.23,;13.57,-14.33,;13.57,-15.86,;14.91,-13.56,;16.25,-14.33,;16.25,-15.86,;17.57,-16.64,;17.57,-18.18,;18.92,-18.95,;20.25,-18.18,;21.58,-18.95,;20.25,-16.64,;18.92,-15.86,;17.57,-13.56,;17.57,-12.02,;18.92,-14.33,;20.25,-13.56,;20.25,-12.02,;21.58,-11.23,;18.92,-11.23,;21.58,-14.33,;21.58,-15.86,;22.93,-13.56,;24.26,-14.33,;24.26,-15.86,;24.82,-17.35,;24.98,-18.88,;26.48,-19.2,;27.27,-17.86,;26.23,-16.71,;25.59,-13.56,;25.59,-12.02,;26.93,-14.33,;27.09,-15.86,;28.6,-16.18,;29.37,-14.85,;28.34,-13.7,;28.66,-12.19,;30.13,-11.71,;27.51,-11.16,;27.85,-9.66,;29.3,-9.18,;29.62,-7.67,;31.09,-7.19,;31.41,-5.68,;30.26,-4.65,;28.79,-5.13,;28.47,-6.63,;30.84,-9.18,;31.6,-10.49,;33.14,-10.49,;33.89,-9.17,;33.12,-7.83,;31.58,-7.85,;26.7,-8.62,;27.02,-7.11,;25.23,-9.1,)|
Show InChI InChI=1S/C54H73N13O10/c1-31(2)44(64-47(70)38(61-42(69)29-57-5)18-12-24-59-54(55)56)50(73)62-39(26-33-20-22-37(68)23-21-33)48(71)65-45(32(3)4)51(74)63-40(27-36-28-58-30-60-36)52(75)67-25-13-19-41(67)49(72)66-46(53(76)77)43(34-14-8-6-9-15-34)35-16-10-7-11-17-35/h6-11,14-17,20-23,28,30-32,38-41,43-46,57,68H,12-13,18-19,24-27,29H2,1-5H3,(H,58,60)(H,61,69)(H,62,73)(H,63,74)(H,64,70)(H,65,71)(H,66,72)(H,76,77)(H4,55,56,59)/t38-,39-,40-,41+,44-,45-,46+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand [Sar1,Ile5,8]AII binding to angiotensin II receptor in rat brain


J Med Chem 32: 898-903 (1989)


BindingDB Entry DOI: 10.7270/Q2FJ2K0Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50228199
PNG
(ANGIOTENSIN AMIDE | Angiotensinamide)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:59.62,39.39,46.46,27.26,18.18,7.7,wD:3.3,63.65,(-.29,-6,;-1.35,-5.38,;-2.42,-5.99,;-1.34,-3.84,;-2.68,-3.06,;-4.01,-3.83,;-4.02,-5.06,;-5.35,-3.05,;-5.34,-1.51,;-6.67,-.74,;-6.67,.8,;-8,1.57,;-8,3.11,;-9.06,3.73,;-6.93,3.73,;-6.68,-3.82,;-8.01,-3.05,;-8.01,-1.81,;-9.35,-3.81,;-9.35,-5.04,;-10.68,-3.04,;-12.02,-3.8,;-12.02,-5.03,;-13.08,-3.18,;-.01,-3.07,;-0,-1.84,;1.33,-3.85,;2.66,-3.08,;2.67,-1.54,;4,-.77,;4,.77,;5.34,1.54,;6.67,.76,;7.74,1.37,;6.66,-.78,;5.33,-1.54,;4,-3.85,;5.06,-3.24,;3.99,-5.39,;5.33,-6.17,;6.66,-5.4,;7.73,-6.02,;6.67,-4.17,;5.33,-7.71,;4.26,-8.32,;6.66,-8.48,;6.66,-10.02,;7.99,-10.8,;9.33,-10.03,;10.71,-10.67,;11.74,-9.53,;10.97,-8.19,;9.47,-8.51,;5.32,-10.79,;4.25,-10.18,;5.32,-12.34,;6.57,-13.21,;6.1,-14.68,;4.56,-14.69,;4.08,-13.22,;2.62,-12.73,;1.69,-13.55,;2.31,-11.22,;.85,-10.74,;.53,-9.23,;-.92,-8.74,;-1.24,-7.23,;-2.7,-6.75,;-3.85,-7.77,;-3.54,-9.28,;-2.07,-9.76,;-.31,-11.76,;-.06,-12.96,;-1.48,-11.37,)|
Show InChI InChI=1S/C49H70N14O11/c1-26(2)39(61-42(67)33(12-8-18-55-49(52)53)57-41(66)32(50)23-38(51)65)45(70)58-34(20-29-14-16-31(64)17-15-29)43(68)62-40(27(3)4)46(71)59-35(22-30-24-54-25-56-30)47(72)63-19-9-13-37(63)44(69)60-36(48(73)74)21-28-10-6-5-7-11-28/h5-7,10-11,14-17,24-27,32-37,39-40,64H,8-9,12-13,18-23,50H2,1-4H3,(H2,51,65)(H,54,56)(H,57,66)(H,58,70)(H,59,71)(H,60,69)(H,61,67)(H,62,68)(H,73,74)(H4,52,53,55)/t32-,33-,34-,35-,36-,37-,39-,40-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand [Sar1,Ile5,8]AII binding to angiotensin II receptor in rat brain


J Med Chem 32: 898-903 (1989)


BindingDB Entry DOI: 10.7270/Q2FJ2K0Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50228203
PNG
(CHEMBL262025)
Show SMILES CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O |wU:56.59,36.36,17.16,wD:43.43,24.23,60.62,6.5,(-1.11,-12.7,;-1.11,-11.16,;.24,-10.39,;1.55,-11.16,;1.55,-12.7,;2.9,-10.39,;4.24,-11.16,;4.24,-12.7,;5.56,-13.47,;5.56,-15.01,;6.9,-15.78,;6.9,-17.32,;8.25,-18.09,;5.56,-18.09,;5.56,-10.39,;5.56,-8.86,;6.9,-11.16,;8.25,-10.39,;8.25,-8.86,;9.56,-8.05,;6.9,-8.05,;9.56,-11.16,;9.56,-12.7,;10.91,-10.39,;12.25,-11.16,;12.25,-12.7,;13.57,-13.47,;13.57,-15.01,;14.91,-15.78,;16.26,-15.01,;17.57,-15.78,;16.26,-13.47,;14.91,-12.7,;13.57,-10.39,;13.57,-8.86,;14.91,-11.16,;16.26,-10.39,;16.26,-8.86,;17.57,-8.05,;14.91,-8.05,;17.57,-11.16,;17.57,-12.7,;18.92,-10.39,;20.27,-11.16,;20.27,-12.7,;20.81,-14.18,;20.59,-15.75,;22.19,-16.45,;23.31,-15.11,;22.28,-13.91,;21.58,-10.39,;21.58,-8.86,;22.93,-11.16,;23.09,-12.7,;24.59,-13.02,;25.36,-11.68,;24.34,-10.52,;24.66,-9.02,;26.13,-8.54,;23.5,-7.99,;23.85,-6.48,;25.39,-5.84,;26.45,-4.75,;25.97,-3.31,;27,-2.18,;28.5,-2.51,;28.98,-3.98,;27.93,-5.1,;29.56,-1.36,;29.08,.12,;30.14,1.27,;31.66,.93,;32.12,-.56,;31.09,-1.7,;22.7,-5.46,;23.02,-3.95,;21.23,-5.94,)|
Show InChI InChI=1S/C54H73N13O10/c1-31(2)45(65-47(70)39(61-44(69)29-57-5)13-9-23-59-54(55)56)50(73)62-40(25-34-17-21-38(68)22-18-34)48(71)66-46(32(3)4)51(74)63-41(27-37-28-58-30-60-37)52(75)67-24-10-14-43(67)49(72)64-42(53(76)77)26-33-15-19-36(20-16-33)35-11-7-6-8-12-35/h6-8,11-12,15-22,28,30-32,39-43,45-46,57,68H,9-10,13-14,23-27,29H2,1-5H3,(H,58,60)(H,61,69)(H,62,73)(H,63,74)(H,64,72)(H,65,70)(H,66,71)(H,76,77)(H4,55,56,59)/t39-,40-,41-,42-,43+,45-,46-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand [Sar1,Ile5,8]AII binding to angiotensin II receptor in rat uterus


J Med Chem 32: 898-903 (1989)


BindingDB Entry DOI: 10.7270/Q2FJ2K0Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50112098
PNG
(CHEMBL412045 | analog of Angiotensin II with cis v...)
Show SMILES N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CS\C=C/CC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |c:23|
Show InChI InChI=1S/C48H63N13O12S/c49-31(23-39(63)64)40(65)55-33(11-6-17-53-48(50)51)42(67)60-37-25-74-19-5-4-10-32(56-43(68)34(57-44(37)69)20-28-13-15-30(62)16-14-28)41(66)58-35(22-29-24-52-26-54-29)46(71)61-18-7-12-38(61)45(70)59-36(47(72)73)21-27-8-2-1-3-9-27/h1-3,5,8-9,13-16,19,24,26,31-38,62H,4,6-7,10-12,17-18,20-23,25,49H2,(H,52,54)(H,55,65)(H,56,68)(H,57,69)(H,58,66)(H,59,70)(H,60,67)(H,63,64)(H,72,73)(H4,50,51,53)/b19-5-/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro binding affinity at rat liver Angiotensin II receptor, type 1 was determined based on displacement of [125I]-Ang II


J Med Chem 45: 1767-77 (2002)


BindingDB Entry DOI: 10.7270/Q2QV3N7W
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50112097
PNG
(CHEMBL266450 | analog of Angiotensin II with trans...)
Show SMILES N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CS\C=C\CC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |t:23|
Show InChI InChI=1S/C48H63N13O12S/c49-31(23-39(63)64)40(65)55-33(11-6-17-53-48(50)51)42(67)60-37-25-74-19-5-4-10-32(56-43(68)34(57-44(37)69)20-28-13-15-30(62)16-14-28)41(66)58-35(22-29-24-52-26-54-29)46(71)61-18-7-12-38(61)45(70)59-36(47(72)73)21-27-8-2-1-3-9-27/h1-3,5,8-9,13-16,19,24,26,31-38,62H,4,6-7,10-12,17-18,20-23,25,49H2,(H,52,54)(H,55,65)(H,56,68)(H,57,69)(H,58,66)(H,59,70)(H,60,67)(H,63,64)(H,72,73)(H4,50,51,53)/b19-5+/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro binding affinity at rat liver Angiotensin II receptor, type 1 was determined based on displacement of [125I]-Ang II


J Med Chem 45: 1767-77 (2002)


BindingDB Entry DOI: 10.7270/Q2QV3N7W
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50228198
PNG
(CHEMBL414796)
Show SMILES CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)NC1(Cc2ccccc2C1)C(O)=O |wU:56.59,36.36,17.16,wD:43.43,24.23,6.5,(2.9,-15.88,;2.9,-14.34,;4.23,-13.57,;5.56,-14.34,;5.56,-15.88,;6.91,-13.57,;8.24,-14.34,;8.24,-15.88,;9.57,-16.66,;9.57,-18.2,;10.92,-18.97,;10.92,-20.51,;12.25,-21.28,;9.57,-21.28,;9.57,-13.57,;9.57,-12.03,;10.92,-14.34,;12.25,-13.57,;12.25,-12.03,;13.58,-11.24,;10.92,-11.24,;13.58,-14.34,;13.58,-15.88,;14.93,-13.57,;16.26,-14.34,;16.26,-15.88,;17.59,-16.66,;17.59,-18.2,;18.94,-18.97,;20.27,-18.2,;21.6,-18.97,;20.27,-16.66,;18.94,-15.88,;17.59,-13.57,;17.59,-12.03,;18.94,-14.34,;20.27,-13.57,;20.27,-12.03,;21.6,-11.24,;18.94,-11.24,;21.6,-14.34,;21.6,-15.88,;22.95,-13.57,;24.28,-14.34,;24.28,-15.88,;24.84,-17.37,;25,-18.9,;26.51,-19.22,;27.3,-17.88,;26.25,-16.72,;25.61,-13.57,;25.61,-12.03,;26.96,-14.34,;27.12,-15.88,;28.63,-16.2,;29.4,-14.86,;28.37,-13.71,;28.69,-12.2,;30.16,-11.72,;27.54,-11.17,;27.88,-9.67,;28.79,-8.42,;30.25,-8.9,;31.58,-8.13,;32.89,-8.9,;32.89,-10.44,;31.57,-11.21,;30.23,-10.44,;28.78,-10.92,;26.72,-8.63,;27.04,-7.12,;25.26,-9.11,)|
Show InChI InChI=1S/C49H69N13O10/c1-27(2)39(59-41(65)34(56-38(64)25-52-5)12-8-18-54-48(50)51)44(68)57-35(20-29-14-16-33(63)17-15-29)42(66)60-40(28(3)4)45(69)58-36(21-32-24-53-26-55-32)46(70)62-19-9-13-37(62)43(67)61-49(47(71)72)22-30-10-6-7-11-31(30)23-49/h6-7,10-11,14-17,24,26-28,34-37,39-40,52,63H,8-9,12-13,18-23,25H2,1-5H3,(H,53,55)(H,56,64)(H,57,68)(H,58,69)(H,59,65)(H,60,66)(H,61,67)(H,71,72)(H4,50,51,54)/t34-,35-,36-,37+,39-,40-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand [Sar1,Ile5,8]AII binding to angiotensin II receptor in rat brain


J Med Chem 32: 898-903 (1989)


BindingDB Entry DOI: 10.7270/Q2FJ2K0Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50236697
PNG
(5-L-isoleucineangiotensin II | 5-isoleucine-angiot...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:4.4,47.47,60.63,35.36,20.21,wD:2.2,24.32,8.17,64.66,(24.13,1.24,;24.1,-.31,;25.42,-1.09,;26.77,-.35,;25.4,-2.63,;24.05,-3.38,;22.73,-2.59,;22.75,-1.05,;21.38,-3.34,;21.36,-4.88,;22.68,-5.66,;24.01,-4.93,;25.33,-5.71,;25.32,-7.24,;26.64,-8.05,;23.97,-8.01,;22.65,-7.22,;20.06,-2.55,;18.71,-3.29,;18.68,-4.83,;17.38,-2.5,;16.04,-3.25,;14.72,-2.46,;14.74,-.92,;13.37,-3.2,;13.34,-4.74,;14.66,-5.53,;14.64,-7.08,;15.96,-7.87,;15.93,-9.4,;14.59,-10.16,;17.25,-10.21,;12.05,-2.42,;10.69,-3.15,;10.67,-4.69,;9.37,-2.36,;8.03,-3.1,;9.4,-.82,;10.75,-.07,;12.07,-.88,;10.78,1.47,;17.41,-.96,;18.76,-.21,;16.1,-.17,;26.72,-3.43,;26.69,-4.97,;28.07,-2.68,;29.38,-3.48,;30.73,-2.73,;30.75,-1.19,;29.53,-.27,;30.03,1.18,;31.57,1.17,;32.02,-.31,;29.35,-5.02,;28.01,-5.76,;30.54,-5.79,;31.99,-5.25,;32.95,-6.46,;32.1,-7.74,;30.62,-7.33,;29.33,-8.36,;27.89,-7.82,;29.58,-9.88,;28.39,-10.86,;26.95,-10.32,;25.76,-11.3,;26.02,-12.81,;24.84,-13.79,;23.4,-13.26,;23.14,-11.74,;24.32,-10.75,;28.64,-12.38,;27.45,-13.36,;30.08,-12.92,)|
Show InChI InChI=1S/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand [Sar1,Ile5,8]AII binding to angiotensin II receptor in rat uterus


J Med Chem 32: 898-903 (1989)


BindingDB Entry DOI: 10.7270/Q2FJ2K0Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50469900
PNG
(CHEMBL104252)
Show SMILES CCNC(=O)c1c(Cl)nc(CC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C24H21BrClF3N4O4S/c1-3-18-31-22(26)20(23(34)30-4-2)33(18)12-13-9-10-17-15(11-13)19(25)21(37-17)14-7-5-6-8-16(14)32-38(35,36)24(27,28)29/h5-11,32H,3-4,12H2,1-2H3,(H,30,34)
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2n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver


J Med Chem 37: 3108-20 (1994)


Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50469891
PNG
(CHEMBL322516)
Show SMILES CCCc1nc(Cl)c(C(N)=O)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C23H19BrClF3N4O4S/c1-2-5-17-30-21(25)19(22(29)33)32(17)11-12-8-9-16-14(10-12)18(24)20(36-16)13-6-3-4-7-15(13)31-37(34,35)23(26,27)28/h3-4,6-10,31H,2,5,11H2,1H3,(H2,29,33)
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2n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver


J Med Chem 37: 3108-20 (1994)


Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50214847
PNG
(CHEMBL340863)
Show SMILES CCCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)\c(=N\C(=O)c2ccccc2C(O)=O)s1
Show InChI InChI=1S/C27H23N7O3S/c1-2-7-23-31-34(27(38-23)28-25(35)21-10-5-6-11-22(21)26(36)37)16-17-12-14-18(15-13-17)19-8-3-4-9-20(19)24-29-32-33-30-24/h3-6,8-15H,2,7,16H2,1H3,(H,36,37)(H,29,30,32,33)/b28-27-
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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of binding of [125I]All at the angiotensin II type 1 receptor (AT1 receptor) in rat liver membranes


Citation and Details

BindingDB Entry DOI: 10.7270/Q29S1T6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50212650
PNG
(CHEMBL89917)
Show SMILES CCCCc1nc2ccccc2[n+]([O-])c1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C26H24N6O/c1-2-3-10-23-25(32(33)24-12-7-6-11-22(24)27-23)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)26-28-30-31-29-26/h4-9,11-16H,2-3,10,17H2,1H3,(H,28,29,30,31)
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2.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Tested for binding affinity by measuring displacement of [125I]-Sar1 Ile8 angiotensin II from rat adrenal cortical membranes


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QF8W29
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50282324
PNG
(2-Cyclopropyl-3-[2'-(2H-tetrazol-5-yl)-biphenyl-4-...)
Show SMILES OC(=O)c1c(Oc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(nc2cccnc12)C1CC1
Show InChI InChI=1S/C25H18N6O3/c32-25(33)20-22-19(6-3-13-26-22)27-21(15-7-8-15)23(20)34-16-11-9-14(10-12-16)17-4-1-2-5-18(17)24-28-30-31-29-24/h1-6,9-13,15H,7-8H2,(H,32,33)(H,28,29,30,31)
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2.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]Sar1,Ile8 angiotensin II binding to Angiotensin II receptor type 1 in rat adrenocortical membrane


Bioorg Med Chem Lett 4: 195-200 (1994)


Article DOI: 10.1016/S0960-894X(01)81146-X
BindingDB Entry DOI: 10.7270/Q2Z60P13
More data for this
Ligand-Target Pair
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