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Compile Data Set for Download or QSAR

Found 163 hits Enz. Inhib. hit(s) with Target = 'AGTR1'   
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
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




Citation and Details
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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PubMed
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)

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
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




Citation and Details
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


Citation and Details
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




Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
AGTR1


(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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0.700n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 963-9 (1995)

More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50287290
PNG
(CHEMBL34866 | KRH-594 | Potassium; 2-[5-ethyl-3-[2...)
Show SMILES CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=NC(=O)C2=C(CCC2)C([O-])=O)s1
Show InChI InChI=1S/C25H23N7O3S/c1-2-21-29-32(25(36-21)26-23(33)19-8-5-9-20(19)24(34)35)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-30-31-28-22/h3-4,6-7,10-13H,2,5,8-9,14H2,1H3,(H,34,35)(H,27,28,30,31)/p-1
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1.02n/an/an/an/an/an/an/an/a



Shinshu University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50049189
PNG
(3-[4-(2-Ethyl-57-dimethyl-imidazo[45-b]pyridin-3-y...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc23)cc1
Show InChI InChI=1S/C30H38N4O4S2/c1-7-9-14-38-30(35)33-40(36,37)29-25(17-24(39-29)15-19(3)4)23-12-10-22(11-13-23)18-34-26(8-2)32-27-20(5)16-21(6)31-28(27)34/h10-13,16-17,19H,7-9,14-15,18H2,1-6H3,(H,33,35)
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1.10n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT1 receptor in rat liver membrane


Bioorg Med Chem 16: 6841-9 (2008)

More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50082568
PNG
(2-({3-[4-(2-Azido-benzenesulfonylaminocarbonyl)-be...)
Show SMILES CCCCc1ncc(CNc2ccccc2C(O)=O)n1Cc1ccc(cc1)C(=O)NS(=O)(=O)c1ccccc1N=[N+]=[N-]
Show InChI InChI=1S/C29H29N7O5S/c1-2-3-12-27-32-18-22(17-31-24-9-5-4-8-23(24)29(38)39)36(27)19-20-13-15-21(16-14-20)28(37)34-42(40,41)26-11-7-6-10-25(26)33-35-30/h4-11,13-16,18,31H,2-3,12,17,19H2,1H3,(H,34,37)(H,38,39)
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1.5n/an/an/an/an/an/an/an/a



Laboratoires Fournier S.A.

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibition of [125I]-Sar-AII binding to Angiotensin II receptor, type 1 from purified rat liver membranes.


Citation and Details
More data for this
Ligand-Target Pair
AGTR1


(RAT)
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
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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1.70n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 963-9 (1995)

More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50003155
PNG
(4-{Butyl-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1ncncc1C(O)=O
Show InChI InChI=1S/C23H23N7O2/c1-2-3-12-30(22-20(23(31)32)13-24-15-25-22)14-16-8-10-17(11-9-16)18-6-4-5-7-19(18)21-26-28-29-27-21/h4-11,13,15H,2-3,12,14H2,1H3,(H,31,32)(H,26,27,28,29)
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1.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against angiotensin II receptor from rat liver


Citation and Details
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50161275
PNG
(CHEMBL3787059)
Show SMILES CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1
Show InChI InChI=1S/C23H21ClN4O4/c1-2-3-8-18-25-20(24)19(22(29)30)28(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-26-23(31)32-27-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,29,30)(H,26,27,31)
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2n/an/an/an/an/an/an/an/a



Donghua University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ang II from Angiotensin 2 type-1A receptor in rat vascular smooth muscle cells after 150 mins by gamma counting method


Citation and Details
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50141059
PNG
(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)
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2.10n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT1 receptor in rat liver membrane


Bioorg Med Chem 16: 6841-9 (2008)

More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50082567
PNG
(2-({2-Butyl-3-[4-(2-chloro-benzenesulfonylaminocar...)
Show SMILES CCCCc1ncc(CNc2ccccc2C(O)=O)n1Cc1ccc(cc1)C(=O)NS(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C29H29ClN4O5S/c1-2-3-12-27-32-18-22(17-31-25-10-6-4-8-23(25)29(36)37)34(27)19-20-13-15-21(16-14-20)28(35)33-40(38,39)26-11-7-5-9-24(26)30/h4-11,13-16,18,31H,2-3,12,17,19H2,1H3,(H,33,35)(H,36,37)
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2.5n/an/an/an/an/an/an/an/a



Laboratoires Fournier S.A.

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibition of [125I]-Sar-AII binding to Angiotensin II receptor, type 1 from purified rat liver membranes.


Citation and Details
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50003158
PNG
(2-Methyl-4-{propyl-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc(C)ncc1C(O)=O
Show InChI InChI=1S/C23H23N7O2/c1-3-12-30(22-20(23(31)32)13-24-15(2)25-22)14-16-8-10-17(11-9-16)18-6-4-5-7-19(18)21-26-28-29-27-21/h4-11,13H,3,12,14H2,1-2H3,(H,31,32)(H,26,27,28,29)
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2.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against angiotensin II receptor from rat liver


Citation and Details
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50161276
PNG
(CHEMBL3786570)
Show SMILES CCCCc1nc(Cl)c(C=O)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1
Show InChI InChI=1S/C23H21ClN4O3/c1-2-3-8-20-25-21(24)19(14-29)28(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-26-23(30)31-27-22/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,26,27,30)
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3.10n/an/an/an/an/an/an/an/a



Donghua University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ang II from Angiotensin 2 type-1A receptor in rat vascular smooth muscle cells after 150 mins by gamma counting method


Citation and Details
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50011977
PNG
((E)-2-butyl-1-(p-carboxybenzyl)-alpha-2-thenylimid...)
Show SMILES CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+
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3.30n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 963-9 (1995)

More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50161277
PNG
(CHEMBL3787050)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1
Show InChI InChI=1S/C23H23ClN4O3/c1-2-3-8-20-25-21(24)19(14-29)28(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-26-23(30)31-27-22/h4-7,9-12,29H,2-3,8,13-14H2,1H3,(H,26,27,30)
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4.30n/an/an/an/an/an/an/an/a



Donghua University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ang II from Angiotensin 2 type-1A receptor in rat vascular smooth muscle cells after 150 mins by gamma counting method


Citation and Details
More data for this
Ligand-Target Pair
AGTR1


(RAT)
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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PubMed
12.1n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 963-9 (1995)

More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50082570
PNG
(2-[2-butyl-1-(4-carboxybenzyl)-1H-5-imidazolylmeth...)
Show SMILES CCCCc1ncc(CNc2ccccc2C(O)=O)n1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H25N3O4/c1-2-3-8-21-25-14-18(13-24-20-7-5-4-6-19(20)23(29)30)26(21)15-16-9-11-17(12-10-16)22(27)28/h4-7,9-12,14,24H,2-3,8,13,15H2,1H3,(H,27,28)(H,29,30)
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12.1n/an/an/an/an/an/an/an/a



Laboratoires Fournier S.A.

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibition of [125I]-Sar-AII binding to Angiotensin II receptor, type 1 from purified rat liver membranes.


Citation and Details
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303975
PNG
(3'-(4-(2-(1H-Tetrazol-5-yl)ethyl)benzyl)-1,7'-dime...)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(CCc2nnn[nH]2)cc1)-c1nc2ccccc2n1C
Show InChI InChI=1S/C29H30N8/c1-4-7-27-31-28-19(2)16-22(29-30-23-8-5-6-9-24(23)36(29)3)17-25(28)37(27)18-21-12-10-20(11-13-21)14-15-26-32-34-35-33-26/h5-6,8-13,16-17H,4,7,14-15,18H2,1-3H3,(H,32,33,34,35)
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13.4n/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)

More data for this
Ligand-Target Pair
AGTR1


(RAT)
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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14n/an/an/an/an/an/an/an/a



Donghua University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ang II from Angiotensin 2 type-1A receptor in rat vascular smooth muscle cells after 150 mins by gamma counting method


Citation and Details
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50119657
PNG
(8-Butyl-7-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)C2(CCCC2)CC1=O
Show InChI InChI=1S/C26H30N6O2/c1-2-3-16-31-23(33)17-26(14-6-7-15-26)25(34)32(31)18-19-10-12-20(13-11-19)21-8-4-5-9-22(21)24-27-29-30-28-24/h4-5,8-13H,2-3,6-7,14-18H2,1H3,(H,27,28,29,30)
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14n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [125I]Sar1,Ile8-Ang2 from AT1 receptor in Wistar rat hepatic membrane


J Med Chem 51: 2137-46 (2008)

More data for this
Ligand-Target Pair
AGTR1


(RAT)
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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15n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against angiotensin II receptor from rat liver; n=8


Citation and Details
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50003156
PNG
(4-{Butyl-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc(C)ncc1C(O)=O
Show InChI InChI=1S/C24H25N7O2/c1-3-4-13-31(23-21(24(32)33)14-25-16(2)26-23)15-17-9-11-18(12-10-17)19-7-5-6-8-20(19)22-27-29-30-28-22/h5-12,14H,3-4,13,15H2,1-2H3,(H,32,33)(H,27,28,29,30)
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15n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against angiotensin II receptor from rat liver


Citation and Details
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50045358
PNG
(2-Ethyl-4-{[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...)
Show SMILES CCOC(=O)c1cnc(CC)nc1NCc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C23H23N7O2/c1-3-20-24-14-19(23(31)32-4-2)21(26-20)25-13-15-9-11-16(12-10-15)17-7-5-6-8-18(17)22-27-29-30-28-22/h5-12,14H,3-4,13H2,1-2H3,(H,24,25,26)(H,27,28,29,30)
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21n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against angiotensin II receptor from rat liver


Citation and Details
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50082569
PNG
(4-Azido-2-{[2-butyl-3-(4-carboxy-benzyl)-3H-imidaz...)
Show SMILES CCCCc1ncc(CNc2cc(ccc2C(O)=O)N=[N+]=[N-])n1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H24N6O4/c1-2-3-4-21-26-13-18(29(21)14-15-5-7-16(8-6-15)22(30)31)12-25-20-11-17(27-28-24)9-10-19(20)23(32)33/h5-11,13,25H,2-4,12,14H2,1H3,(H,30,31)(H,32,33)
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22n/an/an/an/an/an/an/an/a



Laboratoires Fournier S.A.

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibition of [125I]-Sar-AII binding to Angiotensin II receptor, type 1 from purified rat liver membranes.


Citation and Details
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50089990
PNG
(2-Butyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)C2(CCCC2)C1=O
Show InChI InChI=1S/C25H28N6O2/c1-2-3-16-30-23(32)25(14-6-7-15-25)24(33)31(30)17-18-10-12-19(13-11-18)20-8-4-5-9-21(20)22-26-28-29-27-22/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H,26,27,28,29)
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25n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [125I]Sar1,Ile8-Ang2 from AT1 receptor in Wistar rat hepatic membrane


J Med Chem 51: 2137-46 (2008)

More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50368649
PNG
(CHEMBL1202852)
Show SMILES CCc1ncc(C(O)=O)c(NCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)n1
Show InChI InChI=1S/C21H19N7O2/c1-2-18-22-12-17(21(29)30)19(24-18)23-11-13-7-9-14(10-8-13)15-5-3-4-6-16(15)20-25-27-28-26-20/h3-10,12H,2,11H2,1H3,(H,29,30)(H,22,23,24)(H,25,26,27,28)
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68n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against angiotensin II receptor from rat liver


Citation and Details
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50119658
PNG
(7-Butyl-8-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)CC2(CCCC2)C1=O
Show InChI InChI=1S/C26H30N6O2/c1-2-3-16-31-25(34)26(14-6-7-15-26)17-23(33)32(31)18-19-10-12-20(13-11-19)21-8-4-5-9-22(21)24-27-29-30-28-24/h4-5,8-13H,2-3,6-7,14-18H2,1H3,(H,27,28,29,30)
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80n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [125I]Sar1,Ile8-Ang2 from AT1 receptor in Wistar rat hepatic membrane


J Med Chem 51: 2137-46 (2008)

More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303976
PNG
(3'-(2-(4-(2-(1H-Tetrazol-5-yl)ethyl)phenoxy)ethyl)...)
Show SMILES CCCc1nc2c(C)cc(cc2n1CCOc1ccc(CCc2nnn[nH]2)cc1)-c1nc2ccccc2n1C
Show InChI InChI=1S/C30H32N8O/c1-4-7-28-32-29-20(2)18-22(30-31-24-8-5-6-9-25(24)37(30)3)19-26(29)38(28)16-17-39-23-13-10-21(11-14-23)12-15-27-33-35-36-34-27/h5-6,8-11,13-14,18-19H,4,7,12,15-17H2,1-3H3,(H,33,34,35,36)
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1.62E+3n/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)

More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303977
PNG
(3-(4-(2-(1,7'-Dimethyl-2'-propyl-1H,3'H-2,5'-biben...)
Show SMILES CCCc1nc2c(C)cc(cc2n1CCOc1ccc(CC(C)(Oc2ccccc2)C(O)=O)cc1)-c1nc2ccccc2n1C
Show InChI InChI=1S/C37H38N4O4/c1-5-11-33-39-34-25(2)22-27(35-38-30-14-9-10-15-31(30)40(35)4)23-32(34)41(33)20-21-44-28-18-16-26(17-19-28)24-37(3,36(42)43)45-29-12-7-6-8-13-29/h6-10,12-19,22-23H,5,11,20-21,24H2,1-4H3,(H,42,43)
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2.23E+3n/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)

More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303979
PNG
(CHEMBL571763 | Ethyl 3-(4-(2-(1,7'-Dimethyl-2'-pro...)
Show SMILES CCCc1nc2c(C)cc(cc2n1CCOc1ccc(CC(C)(Oc2ccccc2)C(=O)OCC)cc1)-c1nc2ccccc2n1C
Show InChI InChI=1S/C39H42N4O4/c1-6-13-35-41-36-27(3)24-29(37-40-32-16-11-12-17-33(32)42(37)5)25-34(36)43(35)22-23-46-30-20-18-28(19-21-30)26-39(4,38(44)45-7-2)47-31-14-9-8-10-15-31/h8-12,14-21,24-25H,6-7,13,22-23,26H2,1-5H3
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2.53E+3n/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)

More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303978
PNG
(1-(4-(2-(1H-tetrazol-5-yl)ethyl)benzyl)-4-methyl-2...)
Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(CCc2nnn[nH]2)cc1
Show InChI InChI=1S/C21H24N6/c1-3-5-20-22-21-15(2)6-4-7-18(21)27(20)14-17-10-8-16(9-11-17)12-13-19-23-25-26-24-19/h4,6-11H,3,5,12-14H2,1-2H3,(H,23,24,25,26)
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2.84E+3n/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)

More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303980
PNG
(1-(4-((1H-Tetrazol-5-yl)methoxy)benzyl)-4-methyl-2...)
Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(OCc2nnn[nH]2)cc1
Show InChI InChI=1S/C20H22N6O/c1-3-5-19-21-20-14(2)6-4-7-17(20)26(19)12-15-8-10-16(11-9-15)27-13-18-22-24-25-23-18/h4,6-11H,3,5,12-13H2,1-2H3,(H,22,23,24,25)
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5.06E+3n/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)

More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50251516
PNG
(CHEMBL480341 | butyl 5-isobutyl-3-(4-(thiazol-2-yl...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(cc1)C(=O)Nc1nccs1
Show InChI InChI=1S/C23H27N3O5S3/c1-4-5-11-31-23(28)26-34(29,30)21-19(14-18(33-21)13-15(2)3)16-6-8-17(9-7-16)20(27)25-22-24-10-12-32-22/h6-10,12,14-15H,4-5,11,13H2,1-3H3,(H,26,28)(H,24,25,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT1 receptor in rat liver membrane


Bioorg Med Chem 16: 6841-9 (2008)

More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50251515
PNG
(CHEMBL480340 | butyl 3-(4-(benzyl(methyl)carbamoyl...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(cc1)C(=O)N(C)Cc1ccccc1
Show InChI InChI=1S/C28H34N2O5S2/c1-5-6-16-35-28(32)29-37(33,34)27-25(18-24(36-27)17-20(2)3)22-12-14-23(15-13-22)26(31)30(4)19-21-10-8-7-9-11-21/h7-15,18,20H,5-6,16-17,19H2,1-4H3,(H,29,32)
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>1.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT1 receptor in rat liver membrane


Bioorg Med Chem 16: 6841-9 (2008)

More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50251514
PNG
(CHEMBL480906 | N-Butoxycarbonyl-3-[4-(N-benzylcarb...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(cc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C27H32N2O5S2/c1-4-5-15-34-27(31)29-36(32,33)26-24(17-23(35-26)16-19(2)3)21-11-13-22(14-12-21)25(30)28-18-20-9-7-6-8-10-20/h6-14,17,19H,4-5,15-16,18H2,1-3H3,(H,28,30)(H,29,31)
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>1.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT1 receptor in rat liver membrane


Bioorg Med Chem 16: 6841-9 (2008)

More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50251513
PNG
(CHEMBL520421 | butyl 3-(4-(cyclohexylcarbamoyl)phe...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C26H36N2O5S2/c1-4-5-15-33-26(30)28-35(31,32)25-23(17-22(34-25)16-18(2)3)19-11-13-20(14-12-19)24(29)27-21-9-7-6-8-10-21/h11-14,17-18,21H,4-10,15-16H2,1-3H3,(H,27,29)(H,28,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT1 receptor in rat liver membrane


Bioorg Med Chem 16: 6841-9 (2008)

More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50251490
PNG
(CHEMBL519274 | butyl 3-(4-(cyclopropylcarbamoyl)ph...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C23H30N2O5S2/c1-4-5-12-30-23(27)25-32(28,29)22-20(14-19(31-22)13-15(2)3)16-6-8-17(9-7-16)21(26)24-18-10-11-18/h6-9,14-15,18H,4-5,10-13H2,1-3H3,(H,24,26)(H,25,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT1 receptor in rat liver membrane


Bioorg Med Chem 16: 6841-9 (2008)

More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50251489
PNG
(CHEMBL481089 | butyl 5-isobutyl-3-(4-(isopropylcar...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(cc1)C(=O)NC(C)C
Show InChI InChI=1S/C23H32N2O5S2/c1-6-7-12-30-23(27)25-32(28,29)22-20(14-19(31-22)13-15(2)3)17-8-10-18(11-9-17)21(26)24-16(4)5/h8-11,14-16H,6-7,12-13H2,1-5H3,(H,24,26)(H,25,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT1 receptor in rat liver membrane


Bioorg Med Chem 16: 6841-9 (2008)

More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50251488
PNG
(CHEMBL521093 | N-Butoxycarbonyl-3-[4-(N,N-diethylc...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(cc1)C(=O)N(CC)CC
Show InChI InChI=1S/C24H34N2O5S2/c1-6-9-14-31-24(28)25-33(29,30)23-21(16-20(32-23)15-17(4)5)18-10-12-19(13-11-18)22(27)26(7-2)8-3/h10-13,16-17H,6-9,14-15H2,1-5H3,(H,25,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT1 receptor in rat liver membrane


Bioorg Med Chem 16: 6841-9 (2008)

More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50251487
PNG
(CHEMBL481088 | butyl 3-(4-(dimethylcarbamoyl)pheny...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(cc1)C(=O)N(C)C
Show InChI InChI=1S/C22H30N2O5S2/c1-6-7-12-29-22(26)23-31(27,28)21-19(14-18(30-21)13-15(2)3)16-8-10-17(11-9-16)20(25)24(4)5/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,23,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT1 receptor in rat liver membrane


Bioorg Med Chem 16: 6841-9 (2008)

More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50251464
PNG
(CHEMBL518157 | butyl 3-(4-carbamoylphenyl)-5-isobu...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C20H26N2O5S2/c1-4-5-10-27-20(24)22-29(25,26)19-17(12-16(28-19)11-13(2)3)14-6-8-15(9-7-14)18(21)23/h6-9,12-13H,4-5,10-11H2,1-3H3,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT1 receptor in rat liver membrane


Bioorg Med Chem 16: 6841-9 (2008)

More data for this
Ligand-Target Pair
AGTR1


(RAT)
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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>1.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT1 receptor in rat liver membrane


Bioorg Med Chem 16: 6841-9 (2008)

More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303981
PNG
(CHEMBL567063 | Ethyl 3-(4-((4-Methyl-2-propyl-1H-b...)
Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(\C=C\C(=O)OCC)cc1
Show InChI InChI=1S/C23H26N2O2/c1-4-7-21-24-23-17(3)8-6-9-20(23)25(21)16-19-12-10-18(11-13-19)14-15-22(26)27-5-2/h6,8-15H,4-5,7,16H2,1-3H3/b15-14+
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>1.00E+4n/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)

More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303982
PNG
(CHEMBL567689 | Methyl 3-(4-((4-Methyl-2-propyl-1H-...)
Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(CCC(=O)OCC)cc1
Show InChI InChI=1S/C23H28N2O2/c1-4-7-21-24-23-17(3)8-6-9-20(23)25(21)16-19-12-10-18(11-13-19)14-15-22(26)27-5-2/h6,8-13H,4-5,7,14-16H2,1-3H3
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>1.00E+4n/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)

More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303983
PNG
(CHEMBL565793 | ethyl 2-(4-((4-methyl-2-propyl-1H-b...)
Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(OCC(=O)OCC)cc1
Show InChI InChI=1S/C22H26N2O3/c1-4-7-20-23-22-16(3)8-6-9-19(22)24(20)14-17-10-12-18(13-11-17)27-15-21(25)26-5-2/h6,8-13H,4-5,7,14-15H2,1-3H3
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>1.00E+4n/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)

More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303984
PNG
(CHEMBL565379 | Ethyl 2-Methyl-2-(4-((4-methyl-2-pr...)
Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(OC(C)(C)C(=O)OCC)cc1
Show InChI InChI=1S/C24H30N2O3/c1-6-9-21-25-22-17(3)10-8-11-20(22)26(21)16-18-12-14-19(15-13-18)29-24(4,5)23(27)28-7-2/h8,10-15H,6-7,9,16H2,1-5H3
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>1.00E+4n/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)

More data for this
Ligand-Target Pair
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