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Compile Data Set for Download or QSAR

Found 148 hits of ic50 for UniProtKB: P30556   
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/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50229504
PNG
(Saralasin)
Show SMILES [H][C@]1(CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC)C(C)C)C(C)C)C(=O)N[C@@H](C)C(O)=O |r|
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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n/an/a 0.0660n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity as antagonist of AII on guinea pig ileum


J Med Chem 34: 2402-10 (1991)


BindingDB Entry DOI: 10.7270/Q2VD71PJ
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50229575
PNG
(CHEMBL2369937)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=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)[C@H](CC(O)=O)NC)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(C)=O |r,wU:44.47,28.30,48.58,8.15,59.62,2.2,69.72,wD:4.4,18.26,32.43,76.78,(6.67,-4.52,;6.33,-6.02,;4.86,-6.48,;3.73,-5.43,;4.52,-7.98,;5.65,-9.02,;7.12,-8.57,;7.46,-7.07,;8.26,-9.61,;7.92,-11.11,;6.45,-11.57,;5.21,-10.65,;3.95,-11.54,;4.41,-13.01,;5.95,-13.03,;9.73,-9.16,;10.86,-10.2,;10.52,-11.7,;12.33,-9.74,;12.67,-8.24,;11.54,-7.2,;11.72,-5.67,;10.32,-5.02,;9.27,-6.15,;10.03,-7.5,;13.46,-10.79,;14.93,-10.33,;15.27,-8.83,;16.06,-11.38,;17.53,-10.92,;18.66,-11.96,;18.32,-13.47,;20.13,-11.51,;20.47,-10,;19.34,-8.96,;17.87,-9.42,;16.74,-8.37,;17.08,-6.87,;15.95,-5.82,;18.55,-6.41,;19.68,-7.46,;21.26,-12.55,;22.73,-12.09,;23.07,-10.59,;23.87,-13.14,;25.34,-12.68,;26.47,-13.73,;26.13,-15.23,;27.94,-13.27,;29.07,-14.31,;28.73,-15.82,;27.26,-16.27,;26.92,-17.78,;25.45,-18.23,;24.32,-17.19,;25.11,-19.74,;28.28,-11.77,;29.75,-11.31,;30.88,-12.36,;30.09,-9.81,;31.56,-9.35,;31.9,-7.85,;30.77,-6.8,;33.37,-7.39,;28.96,-8.76,;27.49,-9.22,;23.53,-14.64,;22.06,-15.1,;24.66,-15.69,;15.72,-12.88,;16.85,-13.92,;14.25,-13.34,;13.12,-12.29,;3.05,-8.44,;2.71,-9.94,;1.92,-7.39,;.45,-7.85,;-.68,-6.8,;-2.15,-7.26,;-3.28,-6.22,;-4.75,-6.67,;-5.09,-8.18,;-3.96,-9.22,;-2.49,-8.76,;.11,-9.35,;-1.36,-9.81,;1.24,-10.4,)|
Show InChI InChI=1S/C59H86N16O12/c1-9-33(5)49(57(86)69-42(35(7)76)23-36-15-12-11-13-16-36)75-55(84)46(26-39-29-64-31-67-39)70-53(82)45(25-38-28-63-30-66-38)72-58(87)50(34(6)10-2)74-54(83)44(24-37-18-20-40(77)21-19-37)71-56(85)48(32(3)4)73-51(80)41(17-14-22-65-59(60)61)68-52(81)43(62-8)27-47(78)79/h11-13,15-16,18-21,28-34,41-46,48-50,62,77H,9-10,14,17,22-27H2,1-8H3,(H,63,66)(H,64,67)(H,68,81)(H,69,86)(H,70,82)(H,71,85)(H,72,87)(H,73,80)(H,74,83)(H,75,84)(H,78,79)(H4,60,61,65)/t33-,34-,41-,42-,43-,44-,45-,46-,48-,49-,50-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Exploratory Chemistry Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin receptor from rabbit aorta


J Med Chem 34: 2919-22 (1991)


BindingDB Entry DOI: 10.7270/Q26Q20H6
More data for this
Ligand-Target Pair
Type-1/Type-2 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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n/an/a 0.210n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity as antagonist of AII on guinea pig ileum


J Med Chem 34: 2402-10 (1991)


BindingDB Entry DOI: 10.7270/Q2VD71PJ
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
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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n/an/a 0.300n/an/an/an/an/an/a



Exploratory Chemistry Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin receptor from rabbit aorta


J Med Chem 34: 2919-22 (1991)


BindingDB Entry DOI: 10.7270/Q26Q20H6
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50229912
PNG
(CHEMBL315104)
Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C25H25N7/c1-4-7-22-27-23-16(2)14-17(3)26-25(23)32(22)15-18-10-12-19(13-11-18)20-8-5-6-9-21(20)24-28-30-31-29-24/h5-6,8-14H,4,7,15H2,1-3H3,(H,28,29,30,31)
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n/an/a 0.300n/an/an/an/an/an/a



Exploratory Chemistry Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin receptor from rabbit aorta


J Med Chem 34: 2919-22 (1991)


BindingDB Entry DOI: 10.7270/Q26Q20H6
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50229420
PNG
(CHEMBL77838)
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(C)C)C(O)=O |wU:41.44,4.4,15.16,29.31,45.48,2.2,wD:8.7,25.27,(17.19,-2.97,;16.94,-4.18,;15.47,-4.65,;14.56,-3.83,;15.15,-6.16,;13.68,-6.63,;13.36,-8.14,;14.27,-8.97,;11.9,-8.62,;11.41,-10.08,;9.87,-10.07,;9.4,-8.6,;10.66,-7.73,;10.66,-6.19,;11.73,-5.57,;9.33,-5.41,;9.34,-3.87,;10.67,-3.1,;10.82,-1.58,;12.33,-1.27,;13.09,-2.61,;12.06,-3.74,;8,-6.18,;6.66,-5.4,;6.66,-4.38,;5.33,-6.17,;3.99,-5.39,;4,-3.85,;5.06,-3.24,;2.66,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.4,1.39,;-1.33,-.77,;,-1.54,;1.33,-3.85,;1.33,-5.39,;2.4,-6.01,;-.01,-6.16,;-.01,-7.7,;-1.34,-8.47,;-2.41,-7.86,;-1.34,-10.02,;-2.68,-10.79,;-2.68,-12.33,;-4.01,-13.1,;-4.01,-14.64,;-5.34,-15.41,;-5.35,-16.64,;-6.41,-14.8,;-0,-10.78,;1.33,-10.01,;1.33,-8.78,;2.67,-10.78,;4,-10.01,;4.89,-10.52,;-1.34,-5.4,;-1.34,-4.17,;-2.41,-6.01,;5.32,-7.71,;6.38,-8.33,;4.25,-8.32,;16.29,-7.2,;17.46,-6.82,;16.03,-8.4,)|
Show InChI InChI=1S/C45H71N13O10/c1-8-26(6)37(44(67)68)57-40(63)33-12-10-18-58(33)43(66)32(20-28-21-49-23-51-28)54-42(65)36(25(4)5)56-39(62)31(19-27-13-15-29(59)16-14-27)53-41(64)35(24(2)3)55-38(61)30(52-34(60)22-48-7)11-9-17-50-45(46)47/h13-16,21,23-26,30-33,35-37,48,59H,8-12,17-20,22H2,1-7H3,(H,49,51)(H,52,60)(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,67,68)(H4,46,47,50)/t26-,30-,31-,32-,33-,35-,36-,37-/m0/s1
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n/an/a 0.450n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity as antagonist of AII on guinea pig ileum


J Med Chem 34: 2402-10 (1991)


BindingDB Entry DOI: 10.7270/Q2VD71PJ
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50229914
PNG
(CHEMBL98907)
Show SMILES CCCCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C26H27N7/c1-4-5-10-23-28-24-17(2)15-18(3)27-26(24)33(23)16-19-11-13-20(14-12-19)21-8-6-7-9-22(21)25-29-31-32-30-25/h6-9,11-15H,4-5,10,16H2,1-3H3,(H,29,30,31,32)
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n/an/a 0.5n/an/an/an/an/an/a



Exploratory Chemistry Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin receptor from rabbit aorta


J Med Chem 34: 2919-22 (1991)


BindingDB Entry DOI: 10.7270/Q26Q20H6
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50009719
PNG
(7-Methyl-2-propyl-3-[2'-(2H-tetrazol-5-yl)-bipheny...)
Show SMILES CCCc1nc2c(C)ccnc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H23N7/c1-3-6-21-26-22-16(2)13-14-25-24(22)31(21)15-17-9-11-18(12-10-17)19-7-4-5-8-20(19)23-27-29-30-28-23/h4-5,7-14H,3,6,15H2,1-2H3,(H,27,28,29,30)
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n/an/a 1n/an/an/an/an/an/a



Exploratory Chemistry Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin receptor from rabbit aorta


J Med Chem 34: 2919-22 (1991)


BindingDB Entry DOI: 10.7270/Q26Q20H6
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50213488
PNG
(CHEMBL431466)
Show SMILES CCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCC1CCCCC1
Show InChI InChI=1S/C28H34N4O5S2/c1-3-24-30-26(38-2)25(27(33)34)32(24)18-20-13-15-21(16-14-20)22-11-7-8-12-23(22)39(36,37)31-28(35)29-17-19-9-5-4-6-10-19/h7-8,11-16,19H,3-6,9-10,17-18H2,1-2H3,(H,33,34)(H2,29,31,35)
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n/an/a 1.30n/an/an/an/an/an/a


TBA

Assay Description
In vitro displacement of [125I]angiotensin II from angiotensin 2 receptor on rabbit uterus membrane preparation


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S184PR
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50213505
PNG
(CHEMBL314975)
Show SMILES CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)CC1CCCCC1
Show InChI InChI=1S/C29H33F2N3O5S2/c1-2-8-24-32-27(40-29(30)31)26(28(36)37)34(24)18-20-13-15-21(16-14-20)22-11-6-7-12-23(22)41(38,39)33-25(35)17-19-9-4-3-5-10-19/h6-7,11-16,19,29H,2-5,8-10,17-18H2,1H3,(H,33,35)(H,36,37)
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n/an/a 1.70n/an/an/an/an/an/a


TBA

Assay Description
In vitro displacement of [125I]angiotensin II from angiotensin 2 receptor on rabbit uterus membrane preparation


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S184PR
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50230882
PNG
(CARBOXYLIC ACID METABOLITE | CHEBI:74125 | E-3174)
Show SMILES CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
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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Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against [125I]angiotensin II(AII) induced contraction in rabbit aorta by 50%


J Med Chem 36: 2253-65 (1993)


Article DOI: 10.1021/jm00068a002
BindingDB Entry DOI: 10.7270/Q25H7JGW
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50229574
PNG
(CHEMBL99991)
Show SMILES CCCc1nc2ccc(C)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C24H23N7/c1-3-6-22-26-21-14-9-16(2)25-24(21)31(22)15-17-10-12-18(13-11-17)19-7-4-5-8-20(19)23-27-29-30-28-23/h4-5,7-14H,3,6,15H2,1-2H3,(H,27,28,29,30)
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n/an/a 2n/an/an/an/an/an/a



Exploratory Chemistry Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin receptor from rabbit aorta


J Med Chem 34: 2919-22 (1991)


BindingDB Entry DOI: 10.7270/Q26Q20H6
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50230883
PNG
(CHEMBL309089)
Show SMILES CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(C)ccc1C |(11.28,-11.6,;12.74,-12.07,;13.89,-11.03,;15.36,-11.5,;15.83,-12.96,;17.36,-12.96,;17.84,-11.47,;19.3,-11.03,;20.44,-12.04,;19.61,-9.53,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;15.23,-6.73,;13.89,-5.99,;12.58,-6.76,;12.58,-8.29,;13.91,-9.05,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;18.28,-14.2,;17.81,-15.66,;16.36,-16.14,;19.05,-16.57,;20.29,-15.64,;19.81,-14.18,;20.89,-13.6,)|
Show InChI InChI=1S/C27H27N7O2/c1-4-7-23-28-26(34-17(2)10-11-18(34)3)24(27(35)36)33(23)16-19-12-14-20(15-13-19)21-8-5-6-9-22(21)25-29-31-32-30-25/h5-6,8-15H,4,7,16H2,1-3H3,(H,35,36)(H,29,30,31,32)
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n/an/a 2.40n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against [125I]angiotensin II(AII) induced contraction in rabbit aorta by 50%


J Med Chem 36: 2253-65 (1993)


Article DOI: 10.1021/jm00068a002
BindingDB Entry DOI: 10.7270/Q25H7JGW
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50213550
PNG
(CHEMBL87847)
Show SMILES CCCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)CC1CCCCC1
Show InChI InChI=1S/C30H35F2N3O5S2/c1-2-3-13-25-33-28(41-30(31)32)27(29(37)38)35(25)19-21-14-16-22(17-15-21)23-11-7-8-12-24(23)42(39,40)34-26(36)18-20-9-5-4-6-10-20/h7-8,11-12,14-17,20,30H,2-6,9-10,13,18-19H2,1H3,(H,34,36)(H,37,38)
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n/an/a 2.5n/an/an/an/an/an/a


TBA

Assay Description
In vitro displacement of [125I]angiotensin II from angiotensin 2 receptor on rabbit uterus membrane preparation


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S184PR
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50230891
PNG
(CHEMBL76166)
Show SMILES CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C=O
Show InChI InChI=1S/C26H23N7O3/c1-2-6-22-27-25(32-14-5-7-19(32)16-34)23(26(35)36)33(22)15-17-10-12-18(13-11-17)20-8-3-4-9-21(20)24-28-30-31-29-24/h3-5,7-14,16H,2,6,15H2,1H3,(H,35,36)(H,28,29,30,31)
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n/an/a 2.60n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against [125I]angiotensin II(AII) induced contraction in rabbit aorta by 50%


J Med Chem 36: 2253-65 (1993)


Article DOI: 10.1021/jm00068a002
BindingDB Entry DOI: 10.7270/Q25H7JGW
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50469603
PNG
(CHEMBL33459)
Show SMILES CCc1cc(NCc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c(I)c(CC)n1
Show InChI InChI=1S/C23H23IN6/c1-3-17-13-21(22(24)20(4-2)26-17)25-14-15-9-11-16(12-10-15)18-7-5-6-8-19(18)23-27-29-30-28-23/h5-13H,3-4,14H2,1-2H3,(H,25,26)(H,27,28,29,30)
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n/an/a 2.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of [125I]AII binding to guinea pig adrenal membrane


Citation and Details

Article DOI: 10.1016/S0960-894X(01)81136-7
BindingDB Entry DOI: 10.7270/Q22V2JSJ
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50230887
PNG
(CHEMBL306259)
Show SMILES CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(O)C(F)(F)F
Show InChI InChI=1S/C27H24F3N7O3/c1-2-6-21-31-25(36-14-5-9-20(36)23(38)27(28,29)30)22(26(39)40)37(21)15-16-10-12-17(13-11-16)18-7-3-4-8-19(18)24-32-34-35-33-24/h3-5,7-14,23,38H,2,6,15H2,1H3,(H,39,40)(H,32,33,34,35)
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n/an/a 2.90n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against [125I]angiotensin II(AII) induced contraction in rabbit aorta by 50%


J Med Chem 36: 2253-65 (1993)


Article DOI: 10.1021/jm00068a002
BindingDB Entry DOI: 10.7270/Q25H7JGW
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50230906
PNG
(CHEMBL308261)
Show SMILES CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(Cl)ccc1Cl |(11.28,-11.6,;12.74,-12.07,;13.89,-11.03,;15.36,-11.5,;15.83,-12.96,;17.36,-12.96,;17.84,-11.47,;19.3,-11.03,;20.44,-12.04,;19.61,-9.53,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;15.23,-6.73,;13.89,-5.99,;12.58,-6.76,;12.58,-8.29,;13.91,-9.05,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;18.28,-14.2,;19.81,-14.18,;21.14,-13.41,;20.29,-15.64,;19.05,-16.57,;17.81,-15.66,;16.33,-16.06,)|
Show InChI InChI=1S/C25H21Cl2N7O2/c1-2-5-21-28-24(34-19(26)12-13-20(34)27)22(25(35)36)33(21)14-15-8-10-16(11-9-15)17-6-3-4-7-18(17)23-29-31-32-30-23/h3-4,6-13H,2,5,14H2,1H3,(H,35,36)(H,29,30,31,32)
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n/an/a 3.30n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against [125I]angiotensin II(AII) induced contraction in rabbit aorta by 50%


J Med Chem 36: 2253-65 (1993)


Article DOI: 10.1021/jm00068a002
BindingDB Entry DOI: 10.7270/Q25H7JGW
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50213458
PNG
(CHEMBL90672)
Show SMILES CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C29H26F3N3O5S2/c1-2-5-24-33-27(41-29(31)32)26(28(37)38)35(24)17-19-8-12-20(13-9-19)22-6-3-4-7-23(22)42(39,40)34-25(36)16-18-10-14-21(30)15-11-18/h3-4,6-15,29H,2,5,16-17H2,1H3,(H,34,36)(H,37,38)
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n/an/a 3.40n/an/an/an/an/an/a


TBA

Assay Description
In vitro displacement of [125I]angiotensin II from angiotensin 2 receptor on rabbit uterus membrane preparation


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S184PR
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50469600
PNG
(CHEMBL33811)
Show SMILES Cc1cc(NCc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c(I)c(C)n1
Show InChI InChI=1S/C21H19IN6/c1-13-11-19(20(22)14(2)24-13)23-12-15-7-9-16(10-8-15)17-5-3-4-6-18(17)21-25-27-28-26-21/h3-11H,12H2,1-2H3,(H,23,24)(H,25,26,27,28)
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n/an/a 3.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of [125I]AII binding to guinea pig adrenal membrane


Citation and Details

Article DOI: 10.1016/S0960-894X(01)81136-7
BindingDB Entry DOI: 10.7270/Q22V2JSJ
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50230919
PNG
(CHEMBL307844 | CI-996)
Show SMILES CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(=O)C(F)(F)F
Show InChI InChI=1S/C27H22F3N7O3/c1-2-6-21-31-25(36-14-5-9-20(36)23(38)27(28,29)30)22(26(39)40)37(21)15-16-10-12-17(13-11-16)18-7-3-4-8-19(18)24-32-34-35-33-24/h3-5,7-14H,2,6,15H2,1H3,(H,39,40)(H,32,33,34,35)
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n/an/a 3.80n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against [125I]angiotensin II(AII) induced contraction in rabbit aorta by 50%


J Med Chem 36: 2253-65 (1993)


Article DOI: 10.1021/jm00068a002
BindingDB Entry DOI: 10.7270/Q25H7JGW
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50469598
PNG
(CHEMBL32649)
Show SMILES CCc1cc(NCc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c(Br)c(CC)n1
Show InChI InChI=1S/C23H23BrN6/c1-3-17-13-21(22(24)20(4-2)26-17)25-14-15-9-11-16(12-10-15)18-7-5-6-8-19(18)23-27-29-30-28-23/h5-13H,3-4,14H2,1-2H3,(H,25,26)(H,27,28,29,30)
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n/an/a 3.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of [125I]AII binding to guinea pig adrenal membrane


Citation and Details

Article DOI: 10.1016/S0960-894X(01)81136-7
BindingDB Entry DOI: 10.7270/Q22V2JSJ
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50230877
PNG
(CHEMBL70371)
Show SMILES CCCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(=O)C(F)(F)F
Show InChI InChI=1S/C28H24F3N7O3/c1-2-3-10-22-32-26(37-15-6-9-21(37)24(39)28(29,30)31)23(27(40)41)38(22)16-17-11-13-18(14-12-17)19-7-4-5-8-20(19)25-33-35-36-34-25/h4-9,11-15H,2-3,10,16H2,1H3,(H,40,41)(H,33,34,35,36)
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n/an/a 4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against [125I]angiotensin II(AII) induced contraction in rabbit aorta by 50%


J Med Chem 36: 2253-65 (1993)


Article DOI: 10.1021/jm00068a002
BindingDB Entry DOI: 10.7270/Q25H7JGW
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50230915
PNG
(CHEMBL76169)
Show SMILES CCCc1ccc(C)n1-c1nc(CCC)n(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c1C(O)=O |(13.76,-15.58,;15.23,-15.1,;16.36,-16.14,;17.81,-15.66,;19.05,-16.57,;20.29,-15.64,;19.81,-14.18,;20.89,-13.6,;18.28,-14.2,;17.36,-12.96,;15.83,-12.96,;15.36,-11.5,;13.89,-11.03,;12.74,-12.07,;11.28,-11.6,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;15.23,-6.73,;13.89,-5.99,;12.58,-6.76,;12.58,-8.29,;13.91,-9.05,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;17.84,-11.47,;19.3,-11.03,;20.44,-12.04,;19.61,-9.53,)|
Show InChI InChI=1S/C29H31N7O2/c1-4-8-22-17-12-19(3)36(22)28-26(29(37)38)35(25(30-28)9-5-2)18-20-13-15-21(16-14-20)23-10-6-7-11-24(23)27-31-33-34-32-27/h6-7,10-17H,4-5,8-9,18H2,1-3H3,(H,37,38)(H,31,32,33,34)
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n/an/a 4.5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against [125I]angiotensin II(AII) induced contraction in rabbit aorta by 50%


J Med Chem 36: 2253-65 (1993)


Article DOI: 10.1021/jm00068a002
BindingDB Entry DOI: 10.7270/Q25H7JGW
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50230893
PNG
(CHEMBL308031)
Show SMILES Cc1ccc(C)n1-c1nc(C2CC2)n(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c1C(O)=O |(14.26,-14.55,;15.71,-14.07,;16.95,-14.97,;18.19,-14.05,;17.71,-12.59,;18.48,-11.85,;16.18,-12.61,;15.26,-11.37,;13.73,-11.37,;13.25,-9.91,;11.79,-9.43,;10.76,-8.29,;10.28,-9.75,;14.49,-9.01,;14.49,-7.46,;13.15,-6.7,;13.13,-5.14,;11.79,-4.39,;10.47,-5.17,;10.47,-6.7,;11.81,-7.46,;9.14,-4.4,;7.81,-5.17,;6.47,-4.4,;6.47,-2.84,;7.81,-2.08,;9.14,-2.84,;10.45,-2.07,;10.61,-.54,;12.11,-.2,;12.89,-1.54,;11.85,-2.68,;15.74,-9.9,;17.2,-9.43,;18.34,-10.45,;17.51,-7.94,)|
Show InChI InChI=1S/C27H25N7O2/c1-16-7-8-17(2)34(16)26-23(27(35)36)33(25(28-26)20-13-14-20)15-18-9-11-19(12-10-18)21-5-3-4-6-22(21)24-29-31-32-30-24/h3-12,20H,13-15H2,1-2H3,(H,35,36)(H,29,30,31,32)
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n/an/a 4.80n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against [125I]angiotensin II(AII) induced contraction in rabbit aorta by 50%


J Med Chem 36: 2253-65 (1993)


Article DOI: 10.1021/jm00068a002
BindingDB Entry DOI: 10.7270/Q25H7JGW
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50047126
PNG
(2-Ethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2CCCCc2n1
Show InChI InChI=1S/C25H25N5O/c1-2-19-15-24(22-9-5-6-10-23(22)26-19)31-16-17-11-13-18(14-12-17)20-7-3-4-8-21(20)25-27-29-30-28-25/h3-4,7-8,11-15H,2,5-6,9-10,16H2,1H3,(H,27,28,29,30)
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of [125I]AII binding to guinea pig adrenal membrane


Citation and Details

Article DOI: 10.1016/S0960-894X(01)81136-7
BindingDB Entry DOI: 10.7270/Q22V2JSJ
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50213567
PNG
(CHEMBL315983)
Show SMILES CCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCC1CCCCC1
Show InChI InChI=1S/C29H36N4O5S2/c1-3-9-25-31-27(39-2)26(28(34)35)33(25)19-21-14-16-22(17-15-21)23-12-7-8-13-24(23)40(37,38)32-29(36)30-18-20-10-5-4-6-11-20/h7-8,12-17,20H,3-6,9-11,18-19H2,1-2H3,(H,34,35)(H2,30,32,36)
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n/an/a 5.40n/an/an/an/an/an/a


TBA

Assay Description
In vitro displacement of [125I]angiotensin II from angiotensin 2 receptor on rabbit uterus membrane preparation


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S184PR
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50230912
PNG
(CHEMBL72922)
Show SMILES CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1
Show InChI InChI=1S/C25H23N7O2/c1-2-7-21-26-24(31-14-5-6-15-31)22(25(33)34)32(21)16-17-10-12-18(13-11-17)19-8-3-4-9-20(19)23-27-29-30-28-23/h3-6,8-15H,2,7,16H2,1H3,(H,33,34)(H,27,28,29,30)
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n/an/a 5.40n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against [125I]angiotensin II(AII) induced contraction in rabbit aorta by 50%


J Med Chem 36: 2253-65 (1993)


Article DOI: 10.1021/jm00068a002
BindingDB Entry DOI: 10.7270/Q25H7JGW
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50228894
PNG
(CHEMBL312754)
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](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O |wU:57.60,4.4,44.44,24.25,wD:20.21,8.8,61.64,2.2,(10.41,1.37,;9.34,.76,;9.34,-.78,;10.41,-1.4,;8.01,-1.55,;6.67,-.78,;5.34,-1.55,;5.33,-2.78,;4,-.77,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.34,.77,;-2.41,1.39,;-1.34,-.77,;,-1.54,;4.01,.77,;5.35,1.53,;6.41,.91,;5.35,3.07,;6.69,3.84,;8.02,3.06,;8.02,1.83,;9.36,3.83,;10.7,3.06,;12.03,3.82,;13.37,3.05,;14.71,3.81,;16.04,3.04,;17.11,3.65,;16.03,1.81,;9.36,5.37,;8.03,6.14,;7.14,5.63,;8.03,7.68,;6.7,8.46,;6.7,9.48,;4.02,3.85,;2.95,3.24,;4.03,5.08,;8,-3.09,;6.94,-3.71,;9.34,-3.87,;9.33,-5.41,;10.67,-6.18,;12,-5.42,;13.4,-6.06,;14.43,-4.91,;13.66,-3.58,;12.15,-3.89,;8,-6.18,;7.11,-5.67,;8,-7.72,;9.25,-8.61,;8.77,-10.07,;7.23,-10.07,;6.76,-8.61,;5.3,-8.12,;5.05,-6.92,;4.14,-9.14,;2.68,-8.65,;2.44,-7.45,;1.52,-9.68,;1.73,-10.68,;.36,-9.29,)|
Show InChI InChI=1S/C43H67N13O10/c1-7-24(4)35(40(63)53-31(19-27-20-47-22-49-27)41(64)56-17-9-11-32(56)38(61)50-25(5)42(65)66)55-37(60)30(18-26-12-14-28(57)15-13-26)52-39(62)34(23(2)3)54-36(59)29(51-33(58)21-46-6)10-8-16-48-43(44)45/h12-15,20,22-25,29-32,34-35,46,57H,7-11,16-19,21H2,1-6H3,(H,47,49)(H,50,61)(H,51,58)(H,52,62)(H,53,63)(H,54,59)(H,55,60)(H,65,66)(H4,44,45,48)/t24-,25-,29-,30-,31-,32-,34-,35-/m0/s1
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n/an/a 5.80n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity as antagonist of AII on guinea pig ileum


J Med Chem 34: 2402-10 (1991)


BindingDB Entry DOI: 10.7270/Q2VD71PJ
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50213564
PNG
(CHEMBL316234)
Show SMILES CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C29H27F2N3O5S2/c1-2-8-24-32-27(40-29(30)31)26(28(36)37)34(24)18-20-13-15-21(16-14-20)22-11-6-7-12-23(22)41(38,39)33-25(35)17-19-9-4-3-5-10-19/h3-7,9-16,29H,2,8,17-18H2,1H3,(H,33,35)(H,36,37)
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n/an/a 5.80n/an/an/an/an/an/a


TBA

Assay Description
In vitro displacement of [125I]angiotensin II from angiotensin 2 receptor on rabbit uterus membrane preparation


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S184PR
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50229573
PNG
(CHEMBL317360)
Show SMILES CCCCC1=NC(Cl)C(N1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(O)=O |t:4|
Show InChI InChI=1S/C22H23ClN6O2/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/h4-7,9-12,19-20H,2-3,8,13H2,1H3,(H,30,31)(H,25,26,27,28)
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n/an/a 6n/an/an/an/an/an/a



Exploratory Chemistry Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin receptor from rabbit aorta


J Med Chem 34: 2919-22 (1991)


BindingDB Entry DOI: 10.7270/Q26Q20H6
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
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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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Displacement of monoiodinated angiotensin II from guinea-pig adrenal gland angiotensin II receptor


Citation and Details

BindingDB Entry DOI: 10.7270/Q2PG1TWM
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50469605
PNG
(CHEMBL33226)
Show SMILES CCc1cc(NCc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c(C(=O)OC)c(CC)n1
Show InChI InChI=1S/C25H26N6O2/c1-4-18-14-22(23(25(32)33-3)21(5-2)27-18)26-15-16-10-12-17(13-11-16)19-8-6-7-9-20(19)24-28-30-31-29-24/h6-14H,4-5,15H2,1-3H3,(H,26,27)(H,28,29,30,31)
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n/an/a 6.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of [125I]AII binding to guinea pig adrenal membrane


Citation and Details

Article DOI: 10.1016/S0960-894X(01)81136-7
BindingDB Entry DOI: 10.7270/Q22V2JSJ
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50469599
PNG
(CHEMBL34044)
Show SMILES Cc1cc(NCc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c(Cl)c(C)n1
Show InChI InChI=1S/C21H19ClN6/c1-13-11-19(20(22)14(2)24-13)23-12-15-7-9-16(10-8-15)17-5-3-4-6-18(17)21-25-27-28-26-21/h3-11H,12H2,1-2H3,(H,23,24)(H,25,26,27,28)
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n/an/a 6.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of [125I]AII binding to guinea pig adrenal membrane


Citation and Details

Article DOI: 10.1016/S0960-894X(01)81136-7
BindingDB Entry DOI: 10.7270/Q22V2JSJ
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50213504
PNG
(CHEMBL89369)
Show SMILES CCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
Show InChI InChI=1S/C28H28N4O5S2/c1-3-24-30-26(38-2)25(27(33)34)32(24)18-20-13-15-21(16-14-20)22-11-7-8-12-23(22)39(36,37)31-28(35)29-17-19-9-5-4-6-10-19/h4-16H,3,17-18H2,1-2H3,(H,33,34)(H2,29,31,35)
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n/an/a 6.80n/an/an/an/an/an/a


TBA

Assay Description
In vitro displacement of [125I]angiotensin II from angiotensin 2 receptor on rabbit uterus membrane preparation


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S184PR
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50230910
PNG
(CHEMBL306066)
Show SMILES CCCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1
Show InChI InChI=1S/C26H25N7O2/c1-2-3-10-22-27-25(32-15-6-7-16-32)23(26(34)35)33(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)24-28-30-31-29-24/h4-9,11-16H,2-3,10,17H2,1H3,(H,34,35)(H,28,29,30,31)
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n/an/a 7n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against [125I]angiotensin II(AII) induced contraction in rabbit aorta by 50%


J Med Chem 36: 2253-65 (1993)


Article DOI: 10.1021/jm00068a002
BindingDB Entry DOI: 10.7270/Q25H7JGW
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50229419
PNG
(CHEMBL405381)
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)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:20.21,63.65,8.8,2.2,wD:59.62,4.4,46.46,35.36,24.25,(3.98,-9.71,;3.98,-8.48,;5.32,-7.71,;6.38,-8.33,;5.33,-6.17,;3.99,-5.4,;4,-3.86,;5.07,-3.24,;2.66,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.34,.77,;-2.4,1.39,;-1.34,-.77,;,-1.54,;1.33,-3.86,;1.33,-5.4,;2.4,-6.01,;-.01,-6.17,;-.01,-7.71,;-1.34,-8.48,;-2.41,-7.86,;-1.34,-10.02,;-.01,-10.79,;-.01,-12.34,;1.32,-13.11,;1.32,-14.65,;2.65,-15.42,;2.65,-16.65,;3.72,-14.81,;-2.68,-10.79,;-2.68,-12.33,;-1.61,-12.95,;-4.01,-13.1,;-5.08,-12.49,;-4.01,-14.64,;-5.34,-15.42,;-5.35,-16.65,;-1.34,-5.4,;-2.41,-6.02,;-1.34,-4.17,;6.66,-5.4,;6.67,-4.17,;8,-6.18,;9.33,-5.41,;10.67,-6.18,;10.67,-7.72,;11.91,-8.61,;11.43,-10.08,;9.89,-10.07,;9.42,-8.61,;9.34,-3.87,;8.28,-3.25,;10.68,-3.1,;12.06,-3.75,;13.1,-2.61,;12.34,-1.27,;10.83,-1.58,;9.68,-.56,;9.93,.65,;8.22,-1.04,;7.07,-.01,;5.61,-.49,;4.45,.53,;2.99,.06,;1.84,1.08,;2.16,2.59,;3.62,3.07,;4.77,2.04,;7.38,1.5,;8.55,1.88,;6.46,2.32,)|
Show InChI InChI=1S/C50H71N13O11/c1-5-29(4)41(47(71)59-37(25-32-26-54-27-56-32)48(72)63-21-10-14-39(63)45(69)60-38(49(73)74)24-30-11-7-6-8-12-30)62-44(68)36(23-31-15-17-33(65)18-16-31)58-46(70)40(28(2)3)61-43(67)35(13-9-20-55-50(52)53)57-42(66)34(51)19-22-64/h6-8,11-12,15-18,22,26-29,34-41,65H,5,9-10,13-14,19-21,23-25,51H2,1-4H3,(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)/t29-,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for its ability to displace [3H]Angiotensin II (300 ng/mL) from rabbit adrenal cortex


J Med Chem 34: 2402-10 (1991)


BindingDB Entry DOI: 10.7270/Q2VD71PJ
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50213456
PNG
(CHEMBL315000)
Show SMILES CCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCC1CCCC1
Show InChI InChI=1S/C28H34N4O5S2/c1-3-8-24-30-26(38-2)25(27(33)34)32(24)18-20-13-15-21(16-14-20)22-11-6-7-12-23(22)39(36,37)31-28(35)29-17-19-9-4-5-10-19/h6-7,11-16,19H,3-5,8-10,17-18H2,1-2H3,(H,33,34)(H2,29,31,35)
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n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
In vitro displacement of [125I]angiotensin II from angiotensin 2 receptor on rabbit uterus membrane preparation


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S184PR
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50469601
PNG
(CHEMBL32648)
Show SMILES CCc1cc(NCc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c(Cl)c(CC)n1
Show InChI InChI=1S/C23H23ClN6/c1-3-17-13-21(22(24)20(4-2)26-17)25-14-15-9-11-16(12-10-15)18-7-5-6-8-19(18)23-27-29-30-28-23/h5-13H,3-4,14H2,1-2H3,(H,25,26)(H,27,28,29,30)
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n/an/a 7.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of [125I]AII binding to guinea pig adrenal membrane


Citation and Details

Article DOI: 10.1016/S0960-894X(01)81136-7
BindingDB Entry DOI: 10.7270/Q22V2JSJ
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50213561
PNG
(CHEMBL312937)
Show SMILES CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)Cc1cccs1
Show InChI InChI=1S/C27H25F2N3O5S3/c1-2-6-22-30-25(39-27(28)29)24(26(34)35)32(22)16-17-10-12-18(13-11-17)20-8-3-4-9-21(20)40(36,37)31-23(33)15-19-7-5-14-38-19/h3-5,7-14,27H,2,6,15-16H2,1H3,(H,31,33)(H,34,35)
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n/an/a 7.80n/an/an/an/an/an/a


TBA

Assay Description
In vitro displacement of [125I]angiotensin II from angiotensin 2 receptor on rabbit uterus membrane preparation


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S184PR
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50469602
PNG
(CHEMBL285176)
Show SMILES COC(=O)c1c(C)nc(C)cc1NCc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C23H22N6O2/c1-14-12-20(21(15(2)25-14)23(30)31-3)24-13-16-8-10-17(11-9-16)18-6-4-5-7-19(18)22-26-28-29-27-22/h4-12H,13H2,1-3H3,(H,24,25)(H,26,27,28,29)
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n/an/a 8n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of [125I]AII binding to guinea pig adrenal membrane


Citation and Details

Article DOI: 10.1016/S0960-894X(01)81136-7
BindingDB Entry DOI: 10.7270/Q22V2JSJ
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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n/an/a 8n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of [125I]AII binding to guinea pig adrenal membrane


Citation and Details

Article DOI: 10.1016/S0960-894X(01)81136-7
BindingDB Entry DOI: 10.7270/Q22V2JSJ
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50229913
PNG
(CHEMBL99751)
Show SMILES CCCc1nc2cccnc2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C23H21N7/c1-2-6-21-25-20-9-5-14-24-23(20)30(21)15-16-10-12-17(13-11-16)18-7-3-4-8-19(18)22-26-28-29-27-22/h3-5,7-14H,2,6,15H2,1H3,(H,26,27,28,29)
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n/an/a 8n/an/an/an/an/an/a



Exploratory Chemistry Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin receptor from rabbit aorta


J Med Chem 34: 2919-22 (1991)


BindingDB Entry DOI: 10.7270/Q26Q20H6
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50230918
PNG
(CHEMBL73084)
Show SMILES CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1ccc(C(O)=O)c1C
Show InChI InChI=1S/C27H25N7O4/c1-3-6-22-28-25(33-14-13-19(16(33)2)26(35)36)23(27(37)38)34(22)15-17-9-11-18(12-10-17)20-7-4-5-8-21(20)24-29-31-32-30-24/h4-5,7-14H,3,6,15H2,1-2H3,(H,35,36)(H,37,38)(H,29,30,31,32)
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n/an/a 9n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against [125I]angiotensin II(AII) induced contraction in rabbit aorta by 50%


J Med Chem 36: 2253-65 (1993)


Article DOI: 10.1021/jm00068a002
BindingDB Entry DOI: 10.7270/Q25H7JGW
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50213499
PNG
(CHEMBL88653)
Show SMILES CCCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C30H29F2N3O5S2/c1-2-3-13-25-33-28(41-30(31)32)27(29(37)38)35(25)19-21-14-16-22(17-15-21)23-11-7-8-12-24(23)42(39,40)34-26(36)18-20-9-5-4-6-10-20/h4-12,14-17,30H,2-3,13,18-19H2,1H3,(H,34,36)(H,37,38)
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n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
In vitro displacement of [125I]angiotensin II from angiotensin 2 receptor on rabbit uterus membrane preparation


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S184PR
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50213554
PNG
(CHEMBL314527)
Show SMILES CCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
Show InChI InChI=1S/C29H30N4O5S2/c1-3-9-25-31-27(39-2)26(28(34)35)33(25)19-21-14-16-22(17-15-21)23-12-7-8-13-24(23)40(37,38)32-29(36)30-18-20-10-5-4-6-11-20/h4-8,10-17H,3,9,18-19H2,1-2H3,(H,34,35)(H2,30,32,36)
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n/an/a 9.5n/an/an/an/an/an/a


TBA

Assay Description
In vitro displacement of [125I]angiotensin II from angiotensin 2 receptor on rabbit uterus membrane preparation


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S184PR
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50213562
PNG
(CHEMBL327455)
Show SMILES CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)C(C)c1ccccc1
Show InChI InChI=1S/C30H29F2N3O5S2/c1-3-9-25-33-28(41-30(31)32)26(29(37)38)35(25)18-20-14-16-22(17-15-20)23-12-7-8-13-24(23)42(39,40)34-27(36)19(2)21-10-5-4-6-11-21/h4-8,10-17,19,30H,3,9,18H2,1-2H3,(H,34,36)(H,37,38)
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
In vitro displacement of [125I]angiotensin II from angiotensin 2 receptor on rabbit uterus membrane preparation


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S184PR
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50213500
PNG
(CHEMBL86337)
Show SMILES CCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1cccs1
Show InChI InChI=1S/C27H28N4O5S3/c1-3-7-23-29-25(37-2)24(26(32)33)31(23)17-18-11-13-19(14-12-18)21-9-4-5-10-22(21)39(35,36)30-27(34)28-16-20-8-6-15-38-20/h4-6,8-15H,3,7,16-17H2,1-2H3,(H,32,33)(H2,28,30,34)
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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
In vitro displacement of [125I]angiotensin II from angiotensin 2 receptor on rabbit uterus membrane preparation


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S184PR
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50047132
PNG
(2,6-Diethyl-3-iodo-4-[2'-(2H-tetrazol-5-yl)-biphen...)
Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(I)c(CC)n1
Show InChI InChI=1S/C23H22IN5O/c1-3-17-13-21(22(24)20(4-2)25-17)30-14-15-9-11-16(12-10-15)18-7-5-6-8-19(18)23-26-28-29-27-23/h5-13H,3-4,14H2,1-2H3,(H,26,27,28,29)
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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of [125I]AII binding to guinea pig adrenal membrane


Citation and Details

Article DOI: 10.1016/S0960-894X(01)81136-7
BindingDB Entry DOI: 10.7270/Q22V2JSJ
More data for this
Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50212841
PNG
(CHEMBL429008)
Show SMILES CCCCc1nc2ccnc(O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C24H23N7O/c1-2-3-8-21-26-20-13-14-25-24(32)22(20)31(21)15-16-9-11-17(12-10-16)18-6-4-5-7-19(18)23-27-29-30-28-23/h4-7,9-14H,2-3,8,15H2,1H3,(H,25,32)(H,27,28,29,30)
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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Displacement of monoiodinated angiotensin II from guinea-pig adrenal gland angiotensin II receptor


Citation and Details

BindingDB Entry DOI: 10.7270/Q2PG1TWM
More data for this
Ligand-Target Pair
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