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Compile Data Set for Download or QSAR

Found 112 hits of ki data for polymerid = 49000265,49000266,49000267   
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
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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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
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50240609
PNG
(2-Ethoxy-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...)
Show SMILES CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)
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0.640n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


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


J Med Chem 39: 625-56 (1996)

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
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50044518
PNG
(5-Butyl-2-(2-nitro-phenyl)-4-[2'-(1H-tetrazol-5-yl...)
Show SMILES CCCCc1nn(-c2ccccc2[N+]([O-])=O)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C26H24N8O3/c1-2-3-12-24-29-33(22-10-6-7-11-23(22)34(36)37)26(35)32(24)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25-27-30-31-28-25/h4-11,13-16H,2-3,12,17H2,1H3,(H,27,28,30,31)
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0.850n/an/an/an/an/an/an/an/a



NeoGenesis, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Angiotensin II receptor, type 1


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


(RABBIT)
BDBM50241491
PNG
(2-{4-Butyl-2-methyl-6-oxo-5-[2'-(1H-tetrazol-5-yl)...)
Show SMILES CCCCc1nc(C)n(Cc2sccc2C(=O)OC)c(=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C30H30N6O3S/c1-4-5-10-26-25(29(37)36(19(2)31-26)18-27-24(15-16-40-27)30(38)39-3)17-20-11-13-21(14-12-20)22-8-6-7-9-23(22)28-32-34-35-33-28/h6-9,11-16H,4-5,10,17-18H2,1-3H3,(H,32,33,34,35)
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0.900n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Binding affinity was evaluated towards Angiotensin II receptor, type 1 in rabbit aorta


J Med Chem 39: 625-56 (1996)

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
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50035431
PNG
(5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C27H24F3N7O/c1-2-3-12-24-33-37(23-11-7-6-10-22(23)27(28,29)30)26(38)36(24)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25-31-34-35-32-25/h4-11,13-16H,2-3,12,17H2,1H3,(H,31,32,34,35)
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1.20n/an/an/an/an/an/an/an/a



NeoGenesis, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Angiotensin II receptor, type 1


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


(RABBIT)
BDBM50044543
PNG
(5-Butyl-2-(2-isopropyl-phenyl)-4-[2'-(1H-tetrazol-...)
Show SMILES CCCCc1nn(-c2ccccc2C(C)C)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C29H31N7O/c1-4-5-14-27-32-36(26-13-9-8-10-23(26)20(2)3)29(37)35(27)19-21-15-17-22(18-16-21)24-11-6-7-12-25(24)28-30-33-34-31-28/h6-13,15-18,20H,4-5,14,19H2,1-3H3,(H,30,31,33,34)
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1.40n/an/an/an/an/an/an/an/a



NeoGenesis, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Angiotensin II receptor, type 1


Citation and Details
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)
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)
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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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)
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
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50035429
PNG
(4'-[2-Butyl-6-(3-cyclohexyl-ureido)-benzoimidazol-...)
Show SMILES CCCCc1nc2ccc(NC(=O)NC3CCCCC3)cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C32H36N4O3/c1-2-3-13-30-35-28-19-18-25(34-32(39)33-24-9-5-4-6-10-24)20-29(28)36(30)21-22-14-16-23(17-15-22)26-11-7-8-12-27(26)31(37)38/h7-8,11-12,14-20,24H,2-6,9-10,13,21H2,1H3,(H,37,38)(H2,33,34,39)
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29n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against angiotensin I (AT1) receptor to competitively block the specific binding of [125I]- [Sar1,Ile8] AII to a...


Citation and Details
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)
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
AGTR1


(RAT)
BDBM50303985
PNG
(CHEMBL567269 | Ethyl 2,2-Dimethyl-3-(4-(2-(4-methy...)
Show SMILES CCCc1nc2c(C)cccc2n1CCOc1ccc(CC(C)(C)C(=O)OCC)cc1
Show InChI InChI=1S/C26H34N2O3/c1-6-9-23-27-24-19(3)10-8-11-22(24)28(23)16-17-31-21-14-12-20(13-15-21)18-26(4,5)25(29)30-7-2/h8,10-15H,6-7,9,16-18H2,1-5H3
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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
AGTR1


(RAT)
BDBM50303986
PNG
(CHEMBL584704 | Ethyl 2-Methyl-3-(4-(2-(4-methyl-2-...)
Show SMILES CCCc1nc2c(C)cccc2n1CCOc1ccc(CC(C)(Oc2ccccc2)C(=O)OCC)cc1
Show InChI InChI=1S/C31H36N2O4/c1-5-11-28-32-29-23(3)12-10-15-27(29)33(28)20-21-36-25-18-16-24(17-19-25)22-31(4,30(34)35-6-2)37-26-13-8-7-9-14-26/h7-10,12-19H,5-6,11,20-22H2,1-4H3
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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


(Xenopus tropicalis)
BDBM82273
PNG
(CAS_167710-87-4 | RS 39604)
Show SMILES COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCC2CCN(CCNS(C)(=O)=O)CC2)cc(OC)c1
Show InChI InChI=1S/C26H36ClN3O6S/c1-34-20-12-19(13-21(14-20)35-2)17-36-26-16-24(28)23(27)15-22(26)25(31)5-4-18-6-9-30(10-7-18)11-8-29-37(3,32)33/h12-16,18,29H,4-11,17,28H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by PDSP Ki Database




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


(RABBIT)
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Synthélabo Recherche

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
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