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Compile Data Set for Download or QSAR

Found 5208 hits Enz. Inhib. hit(s) with Target = 'Angiotensin II receptor'   
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 AT1B


(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
Angiotensin II receptor


(Homo sapiens (Human))
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 human 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
Angiotensin II AT2


(RAT)
BDBM82431
PNG
(L-162,193 | L-162193 | N-[[4-[[[6-[4-(Cyclopropylc...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#8]-[#6](=O)-[#7][S;v6](=O)(=O)c1ccccc1-c1ccc(-[#6]-n2c(-[#6]-[#6]-[#6]-[#6])nc3ccc(cc3c2=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-2-[#6]-[#6]-2)cc1
Show InChI InChI=1S/C38H45N5O6S/c1-3-5-11-35-39-33-19-18-30(41-20-22-42(23-21-41)36(44)29-16-17-29)25-32(33)37(45)43(35)26-27-12-14-28(15-13-27)31-9-7-8-10-34(31)50(47,48)40-38(46)49-24-6-4-2/h7-10,12-15,18-19,25,29H,3-6,11,16-17,20-24,26H2,1-2H3,(H,40,46)
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0.0600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)


BindingDB Entry DOI: 10.7270/Q2FB51GP
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50370575
PNG
(CHEMBL1791308)
Show SMILES CC[C@@H](C)[C@H](N1Cc2cccc(NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)c2N[C@@H](Cc2ccc(O)cc2)C1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:68.73,15.15,55.57,41.42,30.30,2.2,wD:4.4,19.26,72.76,(20.86,-11.16,;20.86,-9.62,;19.5,-8.85,;18.13,-9.62,;19.5,-7.31,;18.13,-6.53,;17.29,-7.83,;15.7,-8,;15.29,-9.47,;13.78,-9.86,;12.67,-8.77,;13.1,-7.3,;11.74,-6.61,;10.41,-7.27,;10.41,-8.62,;9.06,-6.59,;7.72,-7.27,;6.37,-6.59,;6.4,-5.24,;5.03,-7.24,;5.03,-8.61,;6.22,-9.28,;6.2,-10.63,;7.41,-11.31,;7.4,-12.65,;6.2,-13.32,;8.58,-13.35,;3.69,-6.58,;2.35,-7.24,;2.35,-8.58,;.99,-6.58,;-.35,-7.21,;1.02,-5.24,;-.33,-4.54,;-1.69,-5.21,;-.32,-3.2,;9.07,-5.22,;10.45,-4.54,;7.71,-4.51,;14.61,-6.9,;14.8,-5.36,;16.14,-4.57,;15.99,-3.04,;16.77,-1.69,;15.97,-.38,;16.74,.97,;18.32,.97,;19.09,2.32,;19.13,-.34,;18.35,-1.69,;17.63,-5.09,;18.76,-3.99,;20.86,-6.53,;20.86,-5,;22.25,-7.3,;23.67,-6.69,;23.73,-5.14,;24.52,-3.79,;26.07,-3.63,;26.4,-2.11,;25.03,-1.35,;23.84,-2.38,;25,-7.41,;24.92,-8.77,;26.39,-6.67,;25.88,-5.19,;27.18,-4.28,;28.45,-5.19,;27.97,-6.67,;29.35,-7.43,;29.34,-8.98,;30.71,-6.67,;32.02,-7.41,;31.94,-8.77,;33.27,-9.48,;34.67,-8.88,;35.98,-9.63,;35.9,-10.95,;34.48,-11.61,;33.19,-10.87,;33.44,-6.8,;34.77,-7.53,;33.52,-5.43,)|
Show InChI InChI=1S/C57H76N14O12/c1-5-32(4)48(53(79)67-42(26-36-28-61-30-63-36)54(80)70-23-11-17-44(70)51(77)68-43(56(82)83)25-33-12-7-6-8-13-33)71-29-35-14-9-15-39(47(35)64-41(55(71)81)24-34-18-20-37(72)21-19-34)65-52(78)46(31(2)3)69-50(76)40(16-10-22-62-57(59)60)66-49(75)38(58)27-45(73)74/h6-9,12-15,18-21,28,30-32,38,40-44,46,48,64,72H,5,10-11,16-17,22-27,29,58H2,1-4H3,(H,61,63)(H,65,78)(H,66,75)(H,67,79)(H,68,77)(H,69,76)(H,73,74)(H,82,83)(H4,59,60,62)/t32-,38+,40+,41+,42+,43+,44+,46+,48+/m1/s1
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0.0800n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ang II from angiotensin II receptor type 2 in pig uterus myometrium


J Med Chem 48: 4009-24 (2005)


Article DOI: 10.1021/jm0491492
BindingDB Entry DOI: 10.7270/Q2BR8SZD
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(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
AGTR1


(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
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50030815
PNG
(CHEMBL404594)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[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@@H](C)CC)C(O)=O |wU:8.7,25.27,wD:41.44,4.4,15.16,29.31,45.48,2.2,62.65,(8.44,-18.06,;9.36,-17.24,;9.05,-15.73,;7.88,-15.34,;10.19,-14.7,;9.88,-13.19,;11.03,-12.16,;12.2,-12.55,;10.71,-10.66,;11.74,-9.51,;10.97,-8.18,;9.46,-8.5,;9.33,-10.02,;7.99,-10.79,;7.99,-12.02,;6.66,-10.02,;5.32,-10.79,;5.32,-12.33,;4.07,-13.22,;4.55,-14.68,;6.09,-14.68,;6.56,-13.21,;6.66,-8.48,;5.33,-7.71,;4.43,-8.22,;5.33,-6.17,;3.99,-5.39,;4,-3.85,;5.06,-3.24,;2.66,-3.08,;1.33,-3.85,;-.01,-3.08,;-1.34,-3.84,;-2.67,-3.07,;-2.67,-1.53,;-3.73,-.91,;-1.33,-.76,;,-1.54,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4.01,.77,;5.35,1.53,;5.36,3.07,;4.29,3.69,;6.69,3.84,;6.7,5.37,;8.04,6.14,;8.04,7.68,;9.38,8.44,;9.39,9.99,;10.45,10.6,;8.32,10.61,;8.03,3.06,;8.02,1.52,;6.94,.91,;9.35,.74,;9.34,-.8,;10.22,-1.32,;2.68,1.54,;1.61,.93,;2.69,2.78,;6.66,-5.4,;7.73,-6.01,;6.66,-3.86,;7.73,-3.24,;11.66,-15.17,;11.91,-16.38,;12.58,-14.35,)|
Show InChI InChI=1S/C46H73N13O10/c1-8-26(5)37(43(66)55-33(21-29-22-50-24-52-29)44(67)59-19-11-13-34(59)41(64)58-38(45(68)69)27(6)9-2)57-40(63)32(20-28-14-16-30(60)17-15-28)54-42(65)36(25(3)4)56-39(62)31(53-35(61)23-49-7)12-10-18-51-46(47)48/h14-17,22,24-27,31-34,36-38,49,60H,8-13,18-21,23H2,1-7H3,(H,50,52)(H,53,61)(H,54,65)(H,55,66)(H,56,62)(H,57,63)(H,58,64)(H,68,69)(H4,47,48,51)/t26-,27-,31-,32-,33-,34-,36-,37-,38-/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Binding affinity to AT2 receptor (unknown origin)


ACS Med Chem Lett 5: 1129-32 (2014)


Article DOI: 10.1021/ml500278g
BindingDB Entry DOI: 10.7270/Q2BV7J7R
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50030815
PNG
(CHEMBL404594)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[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@@H](C)CC)C(O)=O |wU:8.7,25.27,wD:41.44,4.4,15.16,29.31,45.48,2.2,62.65,(8.44,-18.06,;9.36,-17.24,;9.05,-15.73,;7.88,-15.34,;10.19,-14.7,;9.88,-13.19,;11.03,-12.16,;12.2,-12.55,;10.71,-10.66,;11.74,-9.51,;10.97,-8.18,;9.46,-8.5,;9.33,-10.02,;7.99,-10.79,;7.99,-12.02,;6.66,-10.02,;5.32,-10.79,;5.32,-12.33,;4.07,-13.22,;4.55,-14.68,;6.09,-14.68,;6.56,-13.21,;6.66,-8.48,;5.33,-7.71,;4.43,-8.22,;5.33,-6.17,;3.99,-5.39,;4,-3.85,;5.06,-3.24,;2.66,-3.08,;1.33,-3.85,;-.01,-3.08,;-1.34,-3.84,;-2.67,-3.07,;-2.67,-1.53,;-3.73,-.91,;-1.33,-.76,;,-1.54,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4.01,.77,;5.35,1.53,;5.36,3.07,;4.29,3.69,;6.69,3.84,;6.7,5.37,;8.04,6.14,;8.04,7.68,;9.38,8.44,;9.39,9.99,;10.45,10.6,;8.32,10.61,;8.03,3.06,;8.02,1.52,;6.94,.91,;9.35,.74,;9.34,-.8,;10.22,-1.32,;2.68,1.54,;1.61,.93,;2.69,2.78,;6.66,-5.4,;7.73,-6.01,;6.66,-3.86,;7.73,-3.24,;11.66,-15.17,;11.91,-16.38,;12.58,-14.35,)|
Show InChI InChI=1S/C46H73N13O10/c1-8-26(5)37(43(66)55-33(21-29-22-50-24-52-29)44(67)59-19-11-13-34(59)41(64)58-38(45(68)69)27(6)9-2)57-40(63)32(20-28-14-16-30(60)17-15-28)54-42(65)36(25(3)4)56-39(62)31(53-35(61)23-49-7)12-10-18-51-46(47)48/h14-17,22,24-27,31-34,36-38,49,60H,8-13,18-21,23H2,1-7H3,(H,50,52)(H,53,61)(H,54,65)(H,55,66)(H,56,62)(H,57,63)(H,58,64)(H,68,69)(H4,47,48,51)/t26-,27-,31-,32-,33-,34-,36-,37-,38-/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to type-2 angiotensin-2 receptor (unknown origin)


Bioorg Med Chem Lett 26: 1355-9 (2016)


BindingDB Entry DOI: 10.7270/Q2SN0BT6
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(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
Angiotensin II receptor


(Homo sapiens (Human))
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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0.160n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-Angiotensin 2 from human placental AT1 receptor expressed in African green monkey COS7 cell membranes after 90 mins by gamma cou...


J Med Chem 59: 1925-45 (2016)


BindingDB Entry DOI: 10.7270/Q2V69MGK
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
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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0.170n/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
Angiotensin II receptor


(Homo sapiens (Human))
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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0.180n/an/an/an/an/an/a7.4n/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for angiotensin II receptor, type 2 in pig uterus myometrium using [125I]-Ang II as radioligand, in pH 7.4 Tris-HCl buffer for 1.5 h...


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
Angiotensin II receptor


(Homo sapiens (Human))
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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0.200n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Bioorg Med Chem Lett 26: 1355-9 (2016)


BindingDB Entry DOI: 10.7270/Q2SN0BT6
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(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
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50009338
PNG
((S)-2-((S)-1-((S)-2-((S)-2-((S)-2-((S)-2-((S)-5-(d...)
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](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O |r,wU:60.63,wD:24.23,36.36,43.43,56.59,17.16,6.5,(6.84,-31.4,;5.3,-31.4,;4.53,-30.07,;2.99,-30.07,;2.22,-31.4,;2.22,-28.73,;2.99,-27.4,;4.53,-27.4,;5.3,-26.07,;4.53,-24.73,;5.3,-23.4,;6.84,-23.4,;7.61,-24.73,;7.61,-22.07,;2.22,-26.07,;2.99,-24.73,;.68,-26.07,;-.09,-24.73,;.68,-23.4,;2.22,-23.4,;-.09,-22.07,;-1.63,-24.73,;-2.4,-23.4,;-2.4,-26.07,;-3.94,-26.07,;-4.71,-24.73,;-6.25,-24.73,;-7.02,-23.4,;-8.56,-23.4,;-9.33,-24.73,;-10.87,-24.73,;-8.56,-26.07,;-7.02,-26.07,;-4.71,-27.4,;-6.25,-27.4,;-3.94,-28.73,;-4.71,-30.07,;-6.25,-30.07,;-7.02,-28.73,;-7.02,-31.4,;-3.94,-31.4,;-2.4,-31.4,;-4.71,-32.73,;-3.94,-34.07,;-4.71,-35.4,;-6.25,-35.4,;-7.15,-34.16,;-8.62,-34.63,;-8.62,-36.17,;-7.15,-36.65,;-2.4,-34.07,;-1.63,-32.73,;-1.63,-35.4,;-2.26,-36.81,;-1.12,-37.84,;.22,-37.07,;-.1,-35.56,;.93,-34.42,;.45,-32.95,;2.42,-34.82,;3.5,-33.73,;3.11,-32.24,;5,-34.13,;6.09,-33.04,;5.39,-35.61,)|
Show InChI InChI=1S/C42H65N13O10/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65/h11-14,19,21-24,28-31,33-34,45,56H,7-10,15-18,20H2,1-6H3,(H,46,48)(H,49,60)(H,50,57)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47)/t24-,28-,29-,30-,31-,33-,34-/m0/s1
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0.220n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Binding affinity to AT1 receptor (unknown origin)


ACS Med Chem Lett 5: 1129-32 (2014)


Article DOI: 10.1021/ml500278g
BindingDB Entry DOI: 10.7270/Q2BV7J7R
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50043280
PNG
(4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidaz...)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C
Show InChI InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)
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0.230n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(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
Angiotensin II receptor


(Homo sapiens (Human))
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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0.240n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-Asp-{Nomega-[N-(4-propanoylaminobutyl)aminocarbonyl]}Arg-ValTyr-Ile-His-Pro-Phe-OH Tris(hydrotrifluoroacetate) from human AT1 re...


J Med Chem 59: 1925-45 (2016)


BindingDB Entry DOI: 10.7270/Q2V69MGK
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82435
PNG
(1-[2,4,6-Trichlorophenyl]-3-butyl-4-[[2'-(1H-t...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1c(Cl)cc(Cl)cc1Cl |(13.29,.94,;11.96,.17,;10.62,.94,;9.29,.17,;7.95,.94,;7.79,2.47,;6.29,2.79,;5.52,1.46,;3.99,1.29,;3.36,-.11,;3.08,2.54,;6.55,.31,;6.23,-1.2,;7.37,-2.23,;7.05,-3.73,;8.2,-4.76,;9.66,-4.29,;9.98,-2.78,;8.84,-1.75,;10.8,-5.32,;12.27,-4.84,;13.41,-5.87,;13.09,-7.38,;11.63,-7.85,;10.48,-6.82,;9.02,-7.3,;7.77,-6.39,;6.53,-7.3,;7,-8.76,;8.54,-8.76,;5.91,4.28,;7.02,5.35,;8.5,4.93,;6.64,6.85,;5.16,7.27,;4.79,8.76,;4.06,6.2,;4.43,4.7,;3.32,3.63,)|
Show InChI InChI=1S/C28H23Cl3N6O2/c1-2-3-8-24-21(25(28(38)39)37(34-24)26-22(30)14-18(29)15-23(26)31)13-16-9-11-17(12-10-16)19-6-4-5-7-20(19)27-32-35-36-33-27/h4-7,9-12,14-15H,2-3,8,13H2,1H3,(H,38,39)(H,32,33,35,36)
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0.25n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)


BindingDB Entry DOI: 10.7270/Q2FB51GP
More data for this
Ligand-Target Pair
AGTR1


(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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0.280n/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
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031962
PNG
(3-(5,7-Dimethyl-2-propyl-imidazo[4,5-b]pyridin-3-y...)
Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1
Show InChI InChI=1S/C28H25N7O/c1-4-7-24-30-25-16(2)12-17(3)29-28(25)35(24)15-18-10-11-21-22(13-18)26(36)20-9-6-5-8-19(20)14-23(21)27-31-33-34-32-27/h5-6,8-14H,4,7,15H2,1-3H3,(H,31,32,33,34)
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0.290n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50370575
PNG
(CHEMBL1791308)
Show SMILES CC[C@@H](C)[C@H](N1Cc2cccc(NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)c2N[C@@H](Cc2ccc(O)cc2)C1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:68.73,15.15,55.57,41.42,30.30,2.2,wD:4.4,19.26,72.76,(20.86,-11.16,;20.86,-9.62,;19.5,-8.85,;18.13,-9.62,;19.5,-7.31,;18.13,-6.53,;17.29,-7.83,;15.7,-8,;15.29,-9.47,;13.78,-9.86,;12.67,-8.77,;13.1,-7.3,;11.74,-6.61,;10.41,-7.27,;10.41,-8.62,;9.06,-6.59,;7.72,-7.27,;6.37,-6.59,;6.4,-5.24,;5.03,-7.24,;5.03,-8.61,;6.22,-9.28,;6.2,-10.63,;7.41,-11.31,;7.4,-12.65,;6.2,-13.32,;8.58,-13.35,;3.69,-6.58,;2.35,-7.24,;2.35,-8.58,;.99,-6.58,;-.35,-7.21,;1.02,-5.24,;-.33,-4.54,;-1.69,-5.21,;-.32,-3.2,;9.07,-5.22,;10.45,-4.54,;7.71,-4.51,;14.61,-6.9,;14.8,-5.36,;16.14,-4.57,;15.99,-3.04,;16.77,-1.69,;15.97,-.38,;16.74,.97,;18.32,.97,;19.09,2.32,;19.13,-.34,;18.35,-1.69,;17.63,-5.09,;18.76,-3.99,;20.86,-6.53,;20.86,-5,;22.25,-7.3,;23.67,-6.69,;23.73,-5.14,;24.52,-3.79,;26.07,-3.63,;26.4,-2.11,;25.03,-1.35,;23.84,-2.38,;25,-7.41,;24.92,-8.77,;26.39,-6.67,;25.88,-5.19,;27.18,-4.28,;28.45,-5.19,;27.97,-6.67,;29.35,-7.43,;29.34,-8.98,;30.71,-6.67,;32.02,-7.41,;31.94,-8.77,;33.27,-9.48,;34.67,-8.88,;35.98,-9.63,;35.9,-10.95,;34.48,-11.61,;33.19,-10.87,;33.44,-6.8,;34.77,-7.53,;33.52,-5.43,)|
Show InChI InChI=1S/C57H76N14O12/c1-5-32(4)48(53(79)67-42(26-36-28-61-30-63-36)54(80)70-23-11-17-44(70)51(77)68-43(56(82)83)25-33-12-7-6-8-13-33)71-29-35-14-9-15-39(47(35)64-41(55(71)81)24-34-18-20-37(72)21-19-34)65-52(78)46(31(2)3)69-50(76)40(16-10-22-62-57(59)60)66-49(75)38(58)27-45(73)74/h6-9,12-15,18-21,28,30-32,38,40-44,46,48,64,72H,5,10-11,16-17,22-27,29,58H2,1-4H3,(H,61,63)(H,65,78)(H,66,75)(H,67,79)(H,68,77)(H,69,76)(H,73,74)(H,82,83)(H4,59,60,62)/t32-,38+,40+,41+,42+,43+,44+,46+,48+/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ang II from angiotensin II receptor type 2 in pig uterus myometrium


J Med Chem 48: 4009-24 (2005)


Article DOI: 10.1021/jm0491492
BindingDB Entry DOI: 10.7270/Q2BR8SZD
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82259
PNG
(CAS_123856 | L-158,809 | NSC_123856)
Show SMILES CCc1nc2c(C)cc(C)nc2n1-c1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C23H21N7/c1-4-20-25-21-14(2)13-15(3)24-23(21)30(20)17-11-9-16(10-12-17)18-7-5-6-8-19(18)22-26-28-29-27-22/h5-13H,4H2,1-3H3,(H,26,27,28,29)
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0.310n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)


BindingDB Entry DOI: 10.7270/Q2FB51GP
More data for this
Ligand-Target Pair
Angiotensin II AT2


(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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0.310n/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
Angiotensin II AT2


(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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0.320n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)


BindingDB Entry DOI: 10.7270/Q2FB51GP
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM86060
PNG
(CAS_123794 | CGP 42112 | NSC_123794)
Show SMILES CCC(C)C(NC(=O)C1CCCN1C(=O)C(Cc1cnc[nH]1)NC(=O)C(CCCCNC(=O)C(CCCN=C(N)N)NC(=O)OCc1ccccc1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cccnc1)C(O)=O |(27.48,-27.05,;26.03,-27.58,;24.85,-26.6,;25.11,-25.08,;23.4,-27.13,;22.22,-26.15,;20.78,-26.68,;20.51,-28.19,;19.59,-25.69,;19.69,-24.16,;18.26,-23.58,;17.28,-24.77,;18.1,-26.07,;17.53,-27.5,;18.48,-28.71,;16,-27.72,;15.43,-29.15,;16.39,-30.36,;15.97,-31.84,;17.25,-32.7,;18.46,-31.75,;17.92,-30.3,;15.05,-26.51,;13.53,-26.73,;12.96,-28.16,;12.57,-25.52,;11.05,-25.74,;10.1,-24.53,;8.57,-24.75,;7.62,-23.54,;6.1,-23.76,;5.14,-22.55,;5.72,-21.12,;3.62,-22.77,;3.05,-24.2,;4,-25.41,;3.43,-26.84,;4.38,-28.05,;5.91,-27.83,;6.86,-29.04,;6.48,-26.4,;2.67,-21.56,;1.14,-21.78,;.57,-23.21,;.19,-20.57,;-1.33,-20.79,;-2.29,-19.58,;-3.81,-19.8,;-4.76,-18.59,;-4.19,-17.16,;-2.67,-16.94,;-1.71,-18.15,;13.15,-24.09,;14.67,-23.87,;15.62,-25.08,;15.24,-22.44,;14.29,-21.23,;12.77,-21.45,;12.19,-22.88,;10.67,-23.1,;9.72,-21.89,;8.19,-22.11,;10.29,-20.46,;11.81,-20.24,;16.77,-22.22,;17.34,-20.79,;16.39,-19.58,;18.86,-20.57,;19.81,-21.78,;21.34,-21.56,;21.91,-20.13,;20.96,-18.92,;19.43,-19.14,;23.14,-28.65,;24.33,-29.63,;21.7,-29.18,)|
Show InChI InChI=1S/C52H69N13O11/c1-3-32(2)43(50(73)74)64-48(71)42-17-11-25-65(42)49(72)41(27-36-29-56-31-59-36)62-46(69)39(60-47(70)40(26-33-18-20-37(66)21-19-33)61-44(67)35-14-9-22-55-28-35)15-7-8-23-57-45(68)38(16-10-24-58-51(53)54)63-52(75)76-30-34-12-5-4-6-13-34/h4-6,9,12-14,18-22,28-29,31-32,38-43,66H,3,7-8,10-11,15-17,23-27,30H2,1-2H3,(H,56,59)(H,57,68)(H,60,70)(H,61,67)(H,62,69)(H,63,75)(H,64,71)(H,73,74)(H4,53,54,58)
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0.370n/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
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50009338
PNG
((S)-2-((S)-1-((S)-2-((S)-2-((S)-2-((S)-2-((S)-5-(d...)
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](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O |r,wU:60.63,wD:24.23,36.36,43.43,56.59,17.16,6.5,(6.84,-31.4,;5.3,-31.4,;4.53,-30.07,;2.99,-30.07,;2.22,-31.4,;2.22,-28.73,;2.99,-27.4,;4.53,-27.4,;5.3,-26.07,;4.53,-24.73,;5.3,-23.4,;6.84,-23.4,;7.61,-24.73,;7.61,-22.07,;2.22,-26.07,;2.99,-24.73,;.68,-26.07,;-.09,-24.73,;.68,-23.4,;2.22,-23.4,;-.09,-22.07,;-1.63,-24.73,;-2.4,-23.4,;-2.4,-26.07,;-3.94,-26.07,;-4.71,-24.73,;-6.25,-24.73,;-7.02,-23.4,;-8.56,-23.4,;-9.33,-24.73,;-10.87,-24.73,;-8.56,-26.07,;-7.02,-26.07,;-4.71,-27.4,;-6.25,-27.4,;-3.94,-28.73,;-4.71,-30.07,;-6.25,-30.07,;-7.02,-28.73,;-7.02,-31.4,;-3.94,-31.4,;-2.4,-31.4,;-4.71,-32.73,;-3.94,-34.07,;-4.71,-35.4,;-6.25,-35.4,;-7.15,-34.16,;-8.62,-34.63,;-8.62,-36.17,;-7.15,-36.65,;-2.4,-34.07,;-1.63,-32.73,;-1.63,-35.4,;-2.26,-36.81,;-1.12,-37.84,;.22,-37.07,;-.1,-35.56,;.93,-34.42,;.45,-32.95,;2.42,-34.82,;3.5,-33.73,;3.11,-32.24,;5,-34.13,;6.09,-33.04,;5.39,-35.61,)|
Show InChI InChI=1S/C42H65N13O10/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65/h11-14,19,21-24,28-31,33-34,45,56H,7-10,15-18,20H2,1-6H3,(H,46,48)(H,49,60)(H,50,57)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47)/t24-,28-,29-,30-,31-,33-,34-/m0/s1
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0.380n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to type-2 angiotensin-2 receptor (unknown origin)


Bioorg Med Chem Lett 26: 1355-9 (2016)


BindingDB Entry DOI: 10.7270/Q2SN0BT6
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50009338
PNG
((S)-2-((S)-1-((S)-2-((S)-2-((S)-2-((S)-2-((S)-5-(d...)
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](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O |r,wU:60.63,wD:24.23,36.36,43.43,56.59,17.16,6.5,(6.84,-31.4,;5.3,-31.4,;4.53,-30.07,;2.99,-30.07,;2.22,-31.4,;2.22,-28.73,;2.99,-27.4,;4.53,-27.4,;5.3,-26.07,;4.53,-24.73,;5.3,-23.4,;6.84,-23.4,;7.61,-24.73,;7.61,-22.07,;2.22,-26.07,;2.99,-24.73,;.68,-26.07,;-.09,-24.73,;.68,-23.4,;2.22,-23.4,;-.09,-22.07,;-1.63,-24.73,;-2.4,-23.4,;-2.4,-26.07,;-3.94,-26.07,;-4.71,-24.73,;-6.25,-24.73,;-7.02,-23.4,;-8.56,-23.4,;-9.33,-24.73,;-10.87,-24.73,;-8.56,-26.07,;-7.02,-26.07,;-4.71,-27.4,;-6.25,-27.4,;-3.94,-28.73,;-4.71,-30.07,;-6.25,-30.07,;-7.02,-28.73,;-7.02,-31.4,;-3.94,-31.4,;-2.4,-31.4,;-4.71,-32.73,;-3.94,-34.07,;-4.71,-35.4,;-6.25,-35.4,;-7.15,-34.16,;-8.62,-34.63,;-8.62,-36.17,;-7.15,-36.65,;-2.4,-34.07,;-1.63,-32.73,;-1.63,-35.4,;-2.26,-36.81,;-1.12,-37.84,;.22,-37.07,;-.1,-35.56,;.93,-34.42,;.45,-32.95,;2.42,-34.82,;3.5,-33.73,;3.11,-32.24,;5,-34.13,;6.09,-33.04,;5.39,-35.61,)|
Show InChI InChI=1S/C42H65N13O10/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65/h11-14,19,21-24,28-31,33-34,45,56H,7-10,15-18,20H2,1-6H3,(H,46,48)(H,49,60)(H,50,57)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47)/t24-,28-,29-,30-,31-,33-,34-/m0/s1
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0.380n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Binding affinity to AT2 receptor (unknown origin)


ACS Med Chem Lett 5: 1129-32 (2014)


Article DOI: 10.1021/ml500278g
BindingDB Entry DOI: 10.7270/Q2BV7J7R
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50156173
PNG
((1-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-2-...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C23H29N3O4S2/c1-4-5-12-30-23(27)25-32(28,29)22-21(14-20(31-22)13-17(2)3)19-8-6-18(7-9-19)15-26-11-10-24-16-26/h6-11,14,16-17H,4-5,12-13,15H2,1-3H3,(H,25,27)
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0.400n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to AT2 receptor


Bioorg Med Chem 18: 4570-90 (2010)


Article DOI: 10.1016/j.bmc.2010.03.064
BindingDB Entry DOI: 10.7270/Q2VD70F0
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50231010
PNG
(CHEMBL312066)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(OCC)ccc2[n+]1[O-]
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0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50156173
PNG
((1-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-2-...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C23H29N3O4S2/c1-4-5-12-30-23(27)25-32(28,29)22-21(14-20(31-22)13-17(2)3)19-8-6-18(7-9-19)15-26-11-10-24-16-26/h6-11,14,16-17H,4-5,12-13,15H2,1-3H3,(H,25,27)
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0.400n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Binding affinity to AT2 receptor (unknown origin)


ACS Med Chem Lett 5: 1129-32 (2014)


Article DOI: 10.1021/ml500278g
BindingDB Entry DOI: 10.7270/Q2BV7J7R
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50156173
PNG
((1-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-2-...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C23H29N3O4S2/c1-4-5-12-30-23(27)25-32(28,29)22-21(14-20(31-22)13-17(2)3)19-8-6-18(7-9-19)15-26-11-10-24-16-26/h6-11,14,16-17H,4-5,12-13,15H2,1-3H3,(H,25,27)
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0.400n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ang II from pig uterus membrane angiotensin II type 2 (AT2) receptor


J Med Chem 47: 5995-6008 (2004)


Article DOI: 10.1021/jm049715t
BindingDB Entry DOI: 10.7270/Q29Z95PH
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50156173
PNG
((1-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-2-...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C23H29N3O4S2/c1-4-5-12-30-23(27)25-32(28,29)22-21(14-20(31-22)13-17(2)3)19-8-6-18(7-9-19)15-26-11-10-24-16-26/h6-11,14,16-17H,4-5,12-13,15H2,1-3H3,(H,25,27)
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0.400n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to type-2 angiotensin-2 receptor (unknown origin)


Bioorg Med Chem Lett 26: 1355-9 (2016)


BindingDB Entry DOI: 10.7270/Q2SN0BT6
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50009718
PNG
(2-Ethyl-5,7-dimethyl-3-[2'-(1H-tetrazol-5-yl)-biph...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H23N7/c1-4-21-26-22-15(2)13-16(3)25-24(22)31(21)14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)23-27-29-30-28-23/h5-13H,4,14H2,1-3H3,(H,27,28,29,30)
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0.450n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against angiotensin II receptor from rat liver


J Med Chem 36: 2676-88 (1993)


BindingDB Entry DOI: 10.7270/Q2QF8TGV
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031954
PNG
(3-(2-Cyclopropyl-5,7-dimethyl-imidazo[4,5-b]pyridi...)
Show SMILES Cc1cc(C)c2nc(C3CC3)n(Cc3ccc4c(cc5ccccc5c(=O)c4c3)-c3nnn[nH]3)c2n1
Show InChI InChI=1S/C28H23N7O/c1-15-11-16(2)29-28-24(15)30-27(18-8-9-18)35(28)14-17-7-10-21-22(12-17)25(36)20-6-4-3-5-19(20)13-23(21)26-31-33-34-32-26/h3-7,10-13,18H,8-9,14H2,1-2H3,(H,31,32,33,34)
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0.450n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
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,)|
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0.460n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL




J Med Chem 32: 898-903 (1989)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031953
PNG
(3-(2-Ethyl-6-methoxy-[1,5]naphthyridin-4-yloxymeth...)
Show SMILES CCc1cc(OCc2ccc3c(cc4ccccc4c(=O)c3c2)-c2nnn[nH]2)c2nc(OC)ccc2n1
Show InChI InChI=1S/C28H22N6O3/c1-3-18-14-24(26-23(29-18)10-11-25(30-26)36-2)37-15-16-8-9-20-21(12-16)27(35)19-7-5-4-6-17(19)13-22(20)28-31-33-34-32-28/h4-14H,3,15H2,1-2H3,(H,31,32,33,34)
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0.480n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031957
PNG
(5,7-Dimethyl-2-propyl-3-[11-(1H-tetrazol-5-yl)-5H-...)
Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(Cc3ccccc3C=C2c2nnn[nH]2)c1 |c:30|
Show InChI InChI=1S/C28H27N7/c1-4-7-25-30-26-17(2)12-18(3)29-28(26)35(25)16-19-10-11-23-22(13-19)14-20-8-5-6-9-21(20)15-24(23)27-31-33-34-32-27/h5-6,8-13,15H,4,7,14,16H2,1-3H3,(H,31,32,33,34)
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0.490n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50156167
PNG
(CHEMBL361927 | butyl (5-isobutylthien-2-yl)sulfony...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2C)cc1
Show InChI InChI=1S/C24H31N3O4S2/c1-5-6-13-31-24(28)26-33(29,30)23-22(15-21(32-23)14-17(2)3)20-9-7-19(8-10-20)16-27-12-11-25-18(27)4/h7-12,15,17H,5-6,13-14,16H2,1-4H3,(H,26,28)
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0.5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ang II from pig uterus membrane angiotensin II type 2 (AT2) receptor


J Med Chem 47: 5995-6008 (2004)


Article DOI: 10.1021/jm049715t
BindingDB Entry DOI: 10.7270/Q29Z95PH
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50199311
PNG
(CHEMBL215160 | N-butyloxycarbonyl-2-(4-imidazol-1-...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1ccc(OCCCC)cc1-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C25H31N3O5S/c1-3-5-15-32-22-11-12-24(34(30,31)27-25(29)33-16-6-4-2)23(17-22)21-9-7-20(8-10-21)18-28-14-13-26-19-28/h7-14,17,19H,3-6,15-16,18H2,1-2H3,(H,27,29)
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0.5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]Ang2 from AT2 receptor in pig uterus membrane


J Med Chem 49: 7160-8 (2006)


Article DOI: 10.1021/jm0606185
BindingDB Entry DOI: 10.7270/Q21C1WHK
More data for this
Ligand-Target Pair
AGTR1


(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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0.570n/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
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50199326
PNG
(CHEMBL217673 | N-butyloxycarbonyl-2-(4-imidazol-1-...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1ccc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C25H31N3O4S/c1-4-5-14-32-25(29)27-33(30,31)24-11-8-21(15-19(2)3)16-23(24)22-9-6-20(7-10-22)17-28-13-12-26-18-28/h6-13,16,18-19H,4-5,14-15,17H2,1-3H3,(H,27,29)
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0.600n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]Ang2 from AT2 receptor in pig uterus membrane


J Med Chem 49: 7160-8 (2006)


Article DOI: 10.1021/jm0606185
BindingDB Entry DOI: 10.7270/Q21C1WHK
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50212596
PNG
(CHEMBL13813)
Show SMILES CCCSC1=NS(=O)(=O)c2cc(C)cnc2N1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 |t:4|
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0.600n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50125339
PNG
(3-[2'-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-2-meth...)
Show SMILES CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(c(COC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C29H35N5O5S/c1-6-10-26-31-24(7-2)27(28(30)35)34(26)16-20-13-14-22(21(15-20)17-38-5)23-11-8-9-12-25(23)40(36,37)33-29-18(3)19(4)32-39-29/h8-9,11-15,33H,6-7,10,16-17H2,1-5H3,(H2,30,35)
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0.600n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1093-6 (2003)


BindingDB Entry DOI: 10.7270/Q2NG4PZP
More data for this
Ligand-Target Pair
AGTR1


(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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0.610n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against angiotensin II receptor from rat liver


J Med Chem 36: 2676-88 (1993)


BindingDB Entry DOI: 10.7270/Q2QF8TGV
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(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



Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50139783
PNG
(Angiotensin II analogue | CHEMBL404996)
Show SMILES CCSC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=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/C47H65N13O12S2/c1-2-74-24-36(43(68)56-33(20-28-22-51-25-53-28)45(70)60-17-7-11-37(60)44(69)57-34(46(71)72)19-26-8-4-3-5-9-26)59-41(66)32(18-27-12-14-29(61)15-13-27)55-42(67)35(23-73)58-40(65)31(10-6-16-52-47(49)50)54-39(64)30(48)21-38(62)63/h3-5,8-9,12-15,22,25,30-37,61,73H,2,6-7,10-11,16-21,23-24,48H2,1H3,(H,51,53)(H,54,64)(H,55,67)(H,56,68)(H,57,69)(H,58,65)(H,59,66)(H,62,63)(H,71,72)(H4,49,50,52)/t30-,31-,32-,33-,34-,35-,36-,37-/m0/s1
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0.620n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor type 2 using [125I]- Ang II in pig uterus myometrium


J Med Chem 47: 859-70 (2004)


Article DOI: 10.1021/jm030921v
BindingDB Entry DOI: 10.7270/Q2736RNQ
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
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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0.640n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Angiotensin II receptor, type 1 in rat adrenal membrane


J Med Chem 39: 625-56 (1996)


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


(Homo sapiens (Human))
BDBM50030815
PNG
(CHEMBL404594)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[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@@H](C)CC)C(O)=O |wU:8.7,25.27,wD:41.44,4.4,15.16,29.31,45.48,2.2,62.65,(8.44,-18.06,;9.36,-17.24,;9.05,-15.73,;7.88,-15.34,;10.19,-14.7,;9.88,-13.19,;11.03,-12.16,;12.2,-12.55,;10.71,-10.66,;11.74,-9.51,;10.97,-8.18,;9.46,-8.5,;9.33,-10.02,;7.99,-10.79,;7.99,-12.02,;6.66,-10.02,;5.32,-10.79,;5.32,-12.33,;4.07,-13.22,;4.55,-14.68,;6.09,-14.68,;6.56,-13.21,;6.66,-8.48,;5.33,-7.71,;4.43,-8.22,;5.33,-6.17,;3.99,-5.39,;4,-3.85,;5.06,-3.24,;2.66,-3.08,;1.33,-3.85,;-.01,-3.08,;-1.34,-3.84,;-2.67,-3.07,;-2.67,-1.53,;-3.73,-.91,;-1.33,-.76,;,-1.54,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4.01,.77,;5.35,1.53,;5.36,3.07,;4.29,3.69,;6.69,3.84,;6.7,5.37,;8.04,6.14,;8.04,7.68,;9.38,8.44,;9.39,9.99,;10.45,10.6,;8.32,10.61,;8.03,3.06,;8.02,1.52,;6.94,.91,;9.35,.74,;9.34,-.8,;10.22,-1.32,;2.68,1.54,;1.61,.93,;2.69,2.78,;6.66,-5.4,;7.73,-6.01,;6.66,-3.86,;7.73,-3.24,;11.66,-15.17,;11.91,-16.38,;12.58,-14.35,)|
Show InChI InChI=1S/C46H73N13O10/c1-8-26(5)37(43(66)55-33(21-29-22-50-24-52-29)44(67)59-19-11-13-34(59)41(64)58-38(45(68)69)27(6)9-2)57-40(63)32(20-28-14-16-30(60)17-15-28)54-42(65)36(25(3)4)56-39(62)31(53-35(61)23-49-7)12-10-18-51-46(47)48/h14-17,22,24-27,31-34,36-38,49,60H,8-13,18-21,23H2,1-7H3,(H,50,52)(H,53,61)(H,54,65)(H,55,66)(H,56,62)(H,57,63)(H,58,64)(H,68,69)(H4,47,48,51)/t26-,27-,31-,32-,33-,34-,36-,37-,38-/m0/s1
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0.650n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Binding affinity to AT1 receptor (unknown origin)


ACS Med Chem Lett 5: 1129-32 (2014)


Article DOI: 10.1021/ml500278g
BindingDB Entry DOI: 10.7270/Q2BV7J7R
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031960
PNG
(3-(2-Ethyl-quinolin-4-yloxymethyl)-11-(1H-tetrazol...)
Show SMILES CCc1cc(OCc2ccc3c(cc4ccccc4c(=O)c3c2)-c2nnn[nH]2)c2ccccc2n1
Show InChI InChI=1S/C28H21N5O2/c1-2-19-15-26(22-9-5-6-10-25(22)29-19)35-16-17-11-12-21-23(13-17)27(34)20-8-4-3-7-18(20)14-24(21)28-30-32-33-31-28/h3-15H,2,16H2,1H3,(H,30,31,32,33)
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0.650n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
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