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PubMed code 21683484

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50351798
PNG
(CHEMBL1824184)
Show SMILES CCCCn1ncc(C(O)=O)c1Nc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C21H21N7O2/c1-2-3-12-28-20(18(13-22-28)21(29)30)23-15-10-8-14(9-11-15)16-6-4-5-7-17(16)19-24-26-27-25-19/h4-11,13,23H,2-3,12H2,1H3,(H,29,30)(H,24,25,26,27)
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n/an/a 2.60n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I][Sar1,Ile8]-AT-II from human recombinant AT1 receptor expressed in HEK293 cells after 120 mins by liquid scintillation counting


Eur J Med Chem 46: 3867-76 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.056
BindingDB Entry DOI: 10.7270/Q2R78FKW
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50056302
PNG
(1-Butyl-5-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCn1ncc(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H22N6O2/c1-2-3-12-28-20(19(14-23-28)22(29)30)13-15-8-10-16(11-9-15)17-6-4-5-7-18(17)21-24-26-27-25-21/h4-11,14H,2-3,12-13H2,1H3,(H,29,30)(H,24,25,26,27)
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Article
PubMed
n/an/a 9.10n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I][Sar1,Ile8]-AT-II from human recombinant AT1 receptor expressed in HEK293 cells after 120 mins by liquid scintillation counting


Eur J Med Chem 46: 3867-76 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.056
BindingDB Entry DOI: 10.7270/Q2R78FKW
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50351802
PNG
(CHEMBL1824000)
Show SMILES CCOC(=O)c1cn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)nc1N(C(C)=O)c1cccc(C)c1
Show InChI InChI=1S/C29H27N7O3/c1-4-39-29(38)26-18-35(32-28(26)36(20(3)37)23-9-7-8-19(2)16-23)17-21-12-14-22(15-13-21)24-10-5-6-11-25(24)27-30-33-34-31-27/h5-16,18H,4,17H2,1-3H3,(H,30,31,33,34)
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n/an/a 1.60E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I][Sar1,Ile8]-AT-II from human recombinant AT1 receptor expressed in HEK293 cells after 120 mins by liquid scintillation counting


Eur J Med Chem 46: 3867-76 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.056
BindingDB Entry DOI: 10.7270/Q2R78FKW
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50351804
PNG
(CHEMBL1824001)
Show SMILES CCOC(=O)c1cn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)nc1N(C(C)=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C30H29N7O3/c1-5-40-30(39)27-18-36(33-29(27)37(21(4)38)24-15-19(2)14-20(3)16-24)17-22-10-12-23(13-11-22)25-8-6-7-9-26(25)28-31-34-35-32-28/h6-16,18H,5,17H2,1-4H3,(H,31,32,34,35)
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n/an/a 1.90E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I][Sar1,Ile8]-AT-II from human recombinant AT1 receptor expressed in HEK293 cells after 120 mins by liquid scintillation counting


Eur J Med Chem 46: 3867-76 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.056
BindingDB Entry DOI: 10.7270/Q2R78FKW
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50351803
PNG
(CHEMBL1823999)
Show SMILES CCOC(=O)c1cn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)nc1N(C(C)=O)c1ccccc1
Show InChI InChI=1S/C28H25N7O3/c1-3-38-28(37)25-18-34(31-27(25)35(19(2)36)22-9-5-4-6-10-22)17-20-13-15-21(16-14-20)23-11-7-8-12-24(23)26-29-32-33-30-26/h4-16,18H,3,17H2,1-2H3,(H,29,30,32,33)
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n/an/a 2.00E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I][Sar1,Ile8]-AT-II from human recombinant AT1 receptor expressed in HEK293 cells after 120 mins by liquid scintillation counting


Eur J Med Chem 46: 3867-76 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.056
BindingDB Entry DOI: 10.7270/Q2R78FKW
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50351799
PNG
(CHEMBL1824004)
Show SMILES CCOC(=O)c1cn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)nc1Nc1cccc(C)c1
Show InChI InChI=1S/C27H25N7O2/c1-3-36-27(35)24-17-34(31-25(24)28-21-8-6-7-18(2)15-21)16-19-11-13-20(14-12-19)22-9-4-5-10-23(22)26-29-32-33-30-26/h4-15,17H,3,16H2,1-2H3,(H,28,31)(H,29,30,32,33)
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n/an/a 2.30E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I][Sar1,Ile8]-AT-II from human recombinant AT1 receptor expressed in HEK293 cells after 120 mins by liquid scintillation counting


Eur J Med Chem 46: 3867-76 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.056
BindingDB Entry DOI: 10.7270/Q2R78FKW
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50351801
PNG
(CHEMBL1824002)
Show SMILES CCOC(=O)c1cn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)nc1N(C(C)=O)c1ccc(C)cc1
Show InChI InChI=1S/C29H27N7O3/c1-4-39-29(38)26-18-35(32-28(26)36(20(3)37)23-15-9-19(2)10-16-23)17-21-11-13-22(14-12-21)24-7-5-6-8-25(24)27-30-33-34-31-27/h5-16,18H,4,17H2,1-3H3,(H,30,31,33,34)
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n/an/a 3.90E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I][Sar1,Ile8]-AT-II from human recombinant AT1 receptor expressed in HEK293 cells after 120 mins by liquid scintillation counting


Eur J Med Chem 46: 3867-76 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.056
BindingDB Entry DOI: 10.7270/Q2R78FKW
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50351800
PNG
(CHEMBL1824003)
Show SMILES CCOC(=O)c1cn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)nc1N(C(C)=O)c1ccc(CC)cc1
Show InChI InChI=1S/C30H29N7O3/c1-4-21-12-16-24(17-13-21)37(20(3)38)29-27(30(39)40-5-2)19-36(33-29)18-22-10-14-23(15-11-22)25-8-6-7-9-26(25)28-31-34-35-32-28/h6-17,19H,4-5,18H2,1-3H3,(H,31,32,34,35)
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n/an/a 5.80E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I][Sar1,Ile8]-AT-II from human recombinant AT1 receptor expressed in HEK293 cells after 120 mins by liquid scintillation counting


Eur J Med Chem 46: 3867-76 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.056
BindingDB Entry DOI: 10.7270/Q2R78FKW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%