Compile Data Set for Download or QSAR
Found 5359 Enz. Inhib. hit(s) with Target = 'Type-1 angiotensin II receptor'
TargetType-1 angiotensin II receptor B(RAT)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50091105(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
Affinity DataKi: >0.000100nMAssay Description:Compound was evaluated for its binding affinity towards rat Angiotensin II receptor, type 1More data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50091105(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
Affinity DataKi: >0.000100nMAssay Description:Compound was evaluated for its binding affinity towards human Angiotensin II receptor, type 1More data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor B(RAT)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50240609(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)
Affinity DataKi:  0.120nMMore data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor A(RAT)
Shinshu University

Curated by PDSP Ki Database
LigandPNGBDBM50240609(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)
Affinity DataKi:  0.120nMMore data for this Ligand-Target Pair
LigandPNGBDBM50469937(CHEMBL104493)
Show SMILES CCc1nc(C2CC2)c(C(=O)NCC(C)C)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C29H30BrF3N4O4S/c1-4-23-35-25(18-10-11-18)26(28(38)34-14-16(2)3)37(23)15-17-9-12-22-20(13-17)24(30)27(41-22)19-7-5-6-8-21(19)36-42(39,40)29(31,32)33/h5-9,12-13,16,18,36H,4,10-11,14-15H2,1-3H3,(H,34,38)
Affinity DataKi:  0.126nMAssay Description:Tested for in vitro binding affinity against angiotensin II receptor of rat liverMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetType-1 angiotensin II receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50236697(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
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
Affinity DataKi:  0.160nMAssay 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...More data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor B(RAT)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50370684(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
Affinity DataKi:  0.160nMpH: 7.4Assay 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 ...More data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50240609(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)
Affinity DataKi:  0.170nMMore data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor A/B(RAT)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50472361(CHEMBL406349)
Show SMILES N[C@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]1CCSSCC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@H](Cc1c[nH]cn1)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+/m1/s1
Affinity DataKi:  0.190nMAssay Description:In vitro binding affinity against Angiotensin II receptor, type 1 from rat liver membranesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetType-1 angiotensin II receptor B(RAT)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM82077(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
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)
Affinity DataKi:  0.210nMMore data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50009338((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
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
Affinity DataKi:  0.220nMAssay Description:Binding affinity to AT1 receptor (unknown origin)More data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor A(RAT)
Shinshu University

Curated by PDSP Ki Database
LigandPNGBDBM50043280(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)
Affinity DataKi:  0.230nMAssay Description:Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membraneMore data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor A(RAT)
Shinshu University

Curated by PDSP Ki Database
LigandPNGBDBM50030474(Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)
Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)
Affinity DataKi:  0.230nMAssay Description:Displacement of [125I]-SI-Ang-2 from AT1 receptor in Rattus norvegicus Sprague-Dawley (rat) liver membranes after 2 hrMore data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor B(RAT)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50015662(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
Affinity DataKi:  0.230nMAssay Description:In vitro binding affinity at rat liver Angiotensin II receptor, type 1 was determined based on displacement of [125I]-Ang IIMore data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor A(RAT)
Shinshu University

Curated by PDSP Ki Database
LigandPNGBDBM50043280(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)
Affinity DataKi:  0.230nMAssay Description:Displacement of [125I]-SI-Ang-2 from AT1 receptor in Rattus norvegicus Sprague-Dawley (rat) liver membranes after 2 hrMore data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50236697(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
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
Affinity DataKi:  0.240nMAssay Description:Displacement of [3H]-Asp-{Nomega-[N-(4-propanoylaminobutyl)aminocarbonyl]}Arg-ValTyr-Ile-His-Pro-Phe-OH Tris(hydrotrifluoroacetate) from human AT1 re...More data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor A(RAT)
Shinshu University

Curated by PDSP Ki Database
LigandPNGBDBM82077(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
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)
Affinity DataKi:  0.280nMMore data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50031962(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)
Affinity DataKi:  0.290nMAssay Description:Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1More data for this Ligand-Target Pair
LigandPNGBDBM50469896(CHEMBL326910)
Show SMILES CCCc1nc(C)c(C(=O)NCC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C26H26BrF3N4O4S/c1-4-8-21-32-15(3)23(25(35)31-5-2)34(21)14-16-11-12-20-18(13-16)22(27)24(38-20)17-9-6-7-10-19(17)33-39(36,37)26(28,29)30/h6-7,9-13,33H,4-5,8,14H2,1-3H3,(H,31,35)
Affinity DataKi:  0.316nMAssay Description:Tested for in vitro binding affinity against angiotensin II receptor of rat liverMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50469890(CHEMBL63072)
Show SMILES CCc1nc(C2CC2)c(C(=O)NC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C26H24BrF3N4O4S/c1-3-20-32-22(15-9-10-15)23(25(35)31-2)34(20)13-14-8-11-19-17(12-14)21(27)24(38-19)16-6-4-5-7-18(16)33-39(36,37)26(28,29)30/h4-8,11-12,15,33H,3,9-10,13H2,1-2H3,(H,31,35)
Affinity DataKi:  0.398nMAssay Description:Tested for in vitro binding affinity against angiotensin II receptor of rat liverMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50469939(CHEMBL323125)
Show SMILES CCNC(=O)c1c(nc(CC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1-c1nn[nH]n1)C1CC1
Show InChI InChI=1S/C27H26BrN7O2/c1-3-21-30-23(16-10-11-16)24(27(36)29-4-2)35(21)14-15-9-12-20-19(13-15)22(28)25(37-20)17-7-5-6-8-18(17)26-31-33-34-32-26/h5-9,12-13,16H,3-4,10-11,14H2,1-2H3,(H,29,36)(H,31,32,33,34)
Affinity DataKi:  0.398nMAssay Description:Tested for in vitro binding affinity against angiotensin II receptor of rat liverMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetType-1 angiotensin II receptor A/B(RAT)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50231010(CHEMBL312066)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(OCC)ccc2[n+]1[O-]
Show InChI InChI=1S/C28H26N6O5/c1-3-5-10-22-27(29-25-21(34(22)37)15-16-23(38-4-2)24(25)28(35)36)39-18-13-11-17(12-14-18)19-8-6-7-9-20(19)26-30-32-33-31-26/h6-9,11-16H,3-5,10H2,1-2H3,(H,35,36)(H,30,31,32,33)
Affinity DataKi:  0.400nMAssay Description:Binding affinity of compound in presence of bovine serum albumin (BSA) at 0% against rat adrenal Angiotensin II receptor, type 1More data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor(Sus scrofa)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50156173((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)
Affinity DataKi:  0.400nMAssay Description:Displacement of [125]Ang2 from AT2 receptor in pig uterus membraneMore data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor A(RAT)
Shinshu University

Curated by PDSP Ki Database
LigandPNGBDBM50009718(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)
Affinity DataKi:  0.450nMAssay Description:Binding affinity against angiotensin II receptor from rat liverMore data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50031954(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)
Affinity DataKi:  0.450nMAssay Description:Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1More data for this Ligand-Target Pair
LigandPNGBDBM50228201(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
Show InChI InChI=1S/C54H73N13O10/c1-31(2)45(65-47(70)39(61-44(69)29-57-5)13-9-23-59-54(55)56)50(73)62-40(25-34-17-21-38(68)22-18-34)48(71)66-46(32(3)4)51(74)63-41(27-37-28-58-30-60-37)52(75)67-24-10-14-43(67)49(72)64-42(53(76)77)26-33-15-19-36(20-16-33)35-11-7-6-8-12-35/h6-8,11-12,15-22,28,30-32,39-43,45-46,57,68H,9-10,13-14,23-27,29H2,1-5H3,(H,58,60)(H,61,69)(H,62,73)(H,63,74)(H,64,72)(H,65,70)(H,66,71)(H,76,77)(H4,55,56,59)/t39-,40-,41-,42+,43+,45-,46-/m0/s1
Affinity DataKi:  0.460nMAssay Description:Tested for inhibition of radioligand [Sar1,Ile5,8]AII binding to angiotensin II receptor in rat brainMore data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50031953(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)
Affinity DataKi:  0.480nMAssay Description:Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1More data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50031957(5,7-Dimethyl-2-propyl-3-[11-(1H-tetrazol-5-yl)-5H-...)
Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(Cc3ccccc3C=C2c2nnn[nH]2)c1
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)
Affinity DataKi:  0.490nMAssay Description:Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1More data for this Ligand-Target Pair
LigandPNGBDBM50469901(GR-138950 | SAPRISARTAN)
Show SMILES CCc1nc(C2CC2)c(C(N)=O)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C25H22BrF3N4O4S/c1-2-19-31-21(14-8-9-14)22(24(30)34)33(19)12-13-7-10-18-16(11-13)20(26)23(37-18)15-5-3-4-6-17(15)32-38(35,36)25(27,28)29/h3-7,10-11,14,32H,2,8-9,12H2,1H3,(H2,30,34)
Affinity DataKi:  0.501nMAssay Description:Tested for in vitro binding affinity against angiotensin II receptor of rat liverMore data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor A/B(RAT)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50228195(Angiotensin Ii | CHEBI:2719)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(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
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
Affinity DataKi:  0.530nMAssay Description:In vitro binding affinity against Angiotensin II receptor, type 1 from rat liver membranesMore data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor A(RAT)
Shinshu University

Curated by PDSP Ki Database
LigandPNGBDBM50006909(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)
Affinity DataKi:  0.570nMMore data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor A/B(RAT)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50125339(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)
Affinity DataKi:  0.600nMAssay Description:Binding affinity towards Angiotensin II receptor, type 1 in rat aortic smooth muscle cells using 0.2 nM [125I]-labeled Sar-Ile-angiotensin IIMore data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor A/B(RAT)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50212596(CHEMBL13813)
Show SMILES CCCSC1=NS(=O)(=O)c2cc(C)cnc2N1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C24H23N7O2S2/c1-3-12-34-24-28-35(32,33)21-13-16(2)14-25-23(21)31(24)15-17-8-10-18(11-9-17)19-6-4-5-7-20(19)22-26-29-30-27-22/h4-11,13-14H,3,12,15H2,1-2H3,(H,26,27,29,30)
Affinity DataKi:  0.600nMAssay Description:Binding against Angiotensin II receptor in a radioligand binding assay using [125I]-Sar1-Ile8 angiotensin-II as radioligand in rat adrenal cortical m...More data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor A(RAT)
Shinshu University

Curated by PDSP Ki Database
LigandPNGBDBM50003154(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)
Affinity DataKi:  0.610nMAssay Description:Binding affinity against angiotensin II receptor from rat liverMore data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor B(RAT)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50287291(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
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)
Affinity DataKi:  0.619nMAssay Description:Inhibition of binding of [125I]All at the angiotensin II type 1 receptor (AT1 receptor) in rat liver membranesMore data for this Ligand-Target Pair
LigandPNGBDBM50469888(CHEMBL104667)
Show SMILES CCNC(=O)c1c(nc(CC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F)C1CC1
Show InChI InChI=1S/C27H26BrF3N4O4S/c1-3-21-33-23(16-10-11-16)24(26(36)32-4-2)35(21)14-15-9-12-20-18(13-15)22(28)25(39-20)17-7-5-6-8-19(17)34-40(37,38)27(29,30)31/h5-9,12-13,16,34H,3-4,10-11,14H2,1-2H3,(H,32,36)
Affinity DataKi:  0.631nMAssay Description:Tested for in vitro binding affinity against angiotensin II receptor of rat liverMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetType-1 angiotensin II receptor(RABBIT)
DuPont Pharmaceuticals Company

Curated by ChEMBL
LigandPNGBDBM50240609(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)
Affinity DataKi:  0.640nMAssay Description:Inhibitory activity against Angiotensin II receptor, type 1 in rat adrenal membraneMore data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50031960(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)
Affinity DataKi:  0.650nMAssay Description:Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1More data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50030815(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
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
Affinity DataKi:  0.650nMAssay Description:Binding affinity to AT1 receptor (unknown origin)More data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50031961(3-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-yl...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1
Show InChI InChI=1S/C27H23N7O/c1-4-23-29-24-15(2)11-16(3)28-27(24)34(23)14-17-9-10-20-21(12-17)25(35)19-8-6-5-7-18(19)13-22(20)26-30-32-33-31-26/h5-13H,4,14H2,1-3H3,(H,30,31,32,33)
Affinity DataKi:  0.660nMAssay Description:Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1More data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50006909(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)
Affinity DataKi:  0.670nMMore data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor B(RAT)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50287290(CHEMBL34866 | KRH-594 | Potassium; 2-[5-ethyl-3-[2...)
Show SMILES CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=NC(=O)C2=C(CCC2)C([O-])=O)s1
Show InChI InChI=1S/C25H23N7O3S/c1-2-21-29-32(25(36-21)26-23(33)19-8-5-9-20(19)24(34)35)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-30-31-28-22/h3-4,6-7,10-13H,2,5,8-9,14H2,1H3,(H,34,35)(H,27,28,30,31)/p-1
Affinity DataKi:  0.670nMMore data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50347563(CHEMBL1801740)
Show SMILES CCc1nc2c(C)cc(CC(C)C)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C29H31N7/c1-5-26-31-27-18(4)15-21(14-17(2)3)30-29(27)36(26)25-13-11-20-16-19(10-12-23(20)25)22-8-6-7-9-24(22)28-32-34-35-33-28/h6-10,12,15-17,25H,5,11,13-14H2,1-4H3,(H,32,33,34,35)/t25-/m0/s1
Affinity DataKi:  0.690nMAssay Description:Binding affinity to human Angiotensin receptor 1More data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor(Sus scrofa)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50199326(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)
Affinity DataKi:  0.700nMAssay Description:Displacement of [125]Ang2 from AT2 receptor in pig uterus membraneMore data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50031955(5,7-Dimethyl-2-propyl-3-[11-(1H-tetrazol-5-yl)-dib...)
Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(Oc3ccccc3C=C2c2nnn[nH]2)c1
Show InChI InChI=1S/C27H25N7O/c1-4-7-24-29-25-16(2)12-17(3)28-27(25)34(24)15-18-10-11-20-21(26-30-32-33-31-26)14-19-8-5-6-9-22(19)35-23(20)13-18/h5-6,8-14H,4,7,15H2,1-3H3,(H,30,31,32,33)
Affinity DataKi:  0.700nMAssay Description:Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1More data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50313242(CHEMBL1076603 | [Sar1,Bpa3]AngII)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)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/C60H75N13O11/c1-4-36(2)51(57(81)70-47(32-42-33-64-35-66-42)58(82)73-28-12-18-49(73)56(80)71-48(59(83)84)31-37-13-7-5-8-14-37)72-55(79)46(30-39-21-25-43(74)26-22-39)69-54(78)45(29-38-19-23-41(24-20-38)52(76)40-15-9-6-10-16-40)68-53(77)44(67-50(75)34-63-3)17-11-27-65-60(61)62/h5-10,13-16,19-26,33,35-36,44-49,51,63,74H,4,11-12,17-18,27-32,34H2,1-3H3,(H,64,66)(H,67,75)(H,68,77)(H,69,78)(H,70,81)(H,71,80)(H,72,79)(H,83,84)(H4,61,62,65)/t36-,44-,45-,46-,47-,48-,49-,51-/m0/s1
Affinity DataKi:  0.700nMAssay Description:Displacement of [125I][Sar1,Ile8]Ang2 from wild-type human AT1 receptor expressed in CHO cells by gamma countingMore data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor(Sus scrofa)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50141059(CHEMBL289614 | L-162782 | N-Butyloxycarbonyl-4'-(2...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1ccc(CC(C)C)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc23)cc1
Show InChI InChI=1S/C32H40N4O4S/c1-7-9-16-40-32(37)35-41(38,39)28-15-12-25(17-21(3)4)19-27(28)26-13-10-24(11-14-26)20-36-29(8-2)34-30-22(5)18-23(6)33-31(30)36/h10-15,18-19,21H,7-9,16-17,20H2,1-6H3,(H,35,37)
Affinity DataKi:  0.700nMAssay Description:Displacement of [125]Ang2 from AT2 receptor in pig uterus membraneMore data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor A(RAT)
Shinshu University

Curated by PDSP Ki Database
LigandPNGBDBM82259(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)
Affinity DataKi:  0.700nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetType-1 angiotensin II receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50159153(CHEMBL3787243)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.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\C(=O)NCCCCNC(=O)CC)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
Show InChI InChI=1S/C58H85N15O14.3C2HF3O2/c1-6-34(5)48(54(83)68-42(29-37-31-61-32-65-37)55(84)73-26-14-18-44(73)52(81)69-43(56(85)86)28-35-15-9-8-10-16-35)71-51(80)41(27-36-19-21-38(74)22-20-36)67-53(82)47(33(3)4)70-50(79)40(66-49(78)39(59)30-46(76)77)17-13-25-63-57(60)72-58(87)64-24-12-11-23-62-45(75)7-2;3*3-2(4,5)1(6)7/h8-10,15-16,19-22,31-34,39-44,47-48,74H,6-7,11-14,17-18,23-30,59H2,1-5H3,(H,61,65)(H,62,75)(H,66,78)(H,67,82)(H,68,83)(H,69,81)(H,70,79)(H,71,80)(H,76,77)(H,85,86)(H4,60,63,64,72,87);3*(H,6,7)/t34-,39-,40-,41-,42-,43-,44-,47-,48-;;;/m0.../s1
Affinity DataKi:  0.710nMAssay Description:Displacement of [3H]-Asp-{Nomega-[N-(4-propanoylaminobutyl)aminocarbonyl]}Arg-ValTyr-Ile-His-Pro-Phe-OH Tris(hydrotrifluoroacetate) from human AT1 re...More data for this Ligand-Target Pair
LigandPNGBDBM50228201(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
Show InChI InChI=1S/C54H73N13O10/c1-31(2)45(65-47(70)39(61-44(69)29-57-5)13-9-23-59-54(55)56)50(73)62-40(25-34-17-21-38(68)22-18-34)48(71)66-46(32(3)4)51(74)63-41(27-37-28-58-30-60-37)52(75)67-24-10-14-43(67)49(72)64-42(53(76)77)26-33-15-19-36(20-16-33)35-11-7-6-8-12-35/h6-8,11-12,15-22,28,30-32,39-43,45-46,57,68H,9-10,13-14,23-27,29H2,1-5H3,(H,58,60)(H,61,69)(H,62,73)(H,63,74)(H,64,72)(H,65,70)(H,66,71)(H,76,77)(H4,55,56,59)/t39-,40-,41-,42+,43+,45-,46-/m0/s1
Affinity DataKi:  0.740nMAssay Description:Tested for inhibition of radioligand [Sar1,Ile5,8]AII binding to angiotensin II receptor in rat uterusMore data for this Ligand-Target Pair
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