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PubMed code 22889560

Compile data set for download or QSAR
Found 16 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))
BDBM50389547
PNG
(CHEMBL2063984)
Show SMILES CCCCc1cnc(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H22N6O2/c1-2-3-6-17-13-23-21(22(29)30)28(17)14-15-9-11-16(12-10-15)18-7-4-5-8-19(18)20-24-26-27-25-20/h4-5,7-13H,2-3,6,14H2,1H3,(H,29,30)(H,24,25,26,27)
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n/an/a 3n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Displacement of 125[I-Sar1-Ile8]ANG II from human AT1 receptor expressed in HEK293 membranes after 1 hr by gamma counting


Eur J Med Chem 55: 358-74 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.040
BindingDB Entry DOI: 10.7270/Q23B617T
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50389547
PNG
(CHEMBL2063984)
Show SMILES CCCCc1cnc(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H22N6O2/c1-2-3-6-17-13-23-21(22(29)30)28(17)14-15-9-11-16(12-10-15)18-7-4-5-8-19(18)20-24-26-27-25-20/h4-5,7-13H,2-3,6,14H2,1H3,(H,29,30)(H,24,25,26,27)
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n/an/a 3.47n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Displacement of 125[I-Sar1-Ile8]ANG II from human AT1 receptor expressed in HEK293 membranes after 1 hr by gamma counting


Eur J Med Chem 55: 358-74 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.040
BindingDB Entry DOI: 10.7270/Q23B617T
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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n/an/a 5.62n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Displacement of 125[I-Sar1-Ile8]ANG II from human AT1 receptor expressed in HEK293 membranes after 1 hr by gamma counting


Eur J Med Chem 55: 358-74 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.040
BindingDB Entry DOI: 10.7270/Q23B617T
More data for this
Ligand-Target Pair
Angiotensin II receptor


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



University of Patras

Curated by ChEMBL


Assay Description
Displacement of 125[I-Sar1-Ile8]ANG II from human AT1 receptor expressed in HEK293 membranes after 1 hr by gamma counting


Eur J Med Chem 55: 358-74 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.040
BindingDB Entry DOI: 10.7270/Q23B617T
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50389544
PNG
(CHEMBL2063983)
Show SMILES CCCCc1cnc(C=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H22N6O/c1-2-3-6-18-13-23-21(15-29)28(18)14-16-9-11-17(12-10-16)19-7-4-5-8-20(19)22-24-26-27-25-22/h4-5,7-13,15H,2-3,6,14H2,1H3,(H,24,25,26,27)
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n/an/a 24.0n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Displacement of 125[I-Sar1-Ile8]ANG II from human AT1 receptor expressed in HEK293 membranes after 1 hr by gamma counting


Eur J Med Chem 55: 358-74 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.040
BindingDB Entry DOI: 10.7270/Q23B617T
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50389544
PNG
(CHEMBL2063983)
Show SMILES CCCCc1cnc(C=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H22N6O/c1-2-3-6-18-13-23-21(15-29)28(18)14-16-9-11-17(12-10-16)19-7-4-5-8-20(19)22-24-26-27-25-22/h4-5,7-13,15H,2-3,6,14H2,1H3,(H,24,25,26,27)
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n/an/a 24n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Displacement of 125[I-Sar1-Ile8]ANG II from human AT1 receptor expressed in HEK293 membranes after 1 hr by gamma counting


Eur J Med Chem 55: 358-74 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.040
BindingDB Entry DOI: 10.7270/Q23B617T
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50389541
PNG
(CHEMBL2063979)
Show SMILES CCCCc1cnc(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H24N6O/c1-2-3-6-18-13-23-21(15-29)28(18)14-16-9-11-17(12-10-16)19-7-4-5-8-20(19)22-24-26-27-25-22/h4-5,7-13,29H,2-3,6,14-15H2,1H3,(H,24,25,26,27)
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n/an/a 30n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Displacement of 125[I-Sar1-Ile8]ANG II from human AT1 receptor expressed in HEK293 membranes after 1 hr by gamma counting


Eur J Med Chem 55: 358-74 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.040
BindingDB Entry DOI: 10.7270/Q23B617T
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50389541
PNG
(CHEMBL2063979)
Show SMILES CCCCc1cnc(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H24N6O/c1-2-3-6-18-13-23-21(15-29)28(18)14-16-9-11-17(12-10-16)19-7-4-5-8-20(19)22-24-26-27-25-22/h4-5,7-13,29H,2-3,6,14-15H2,1H3,(H,24,25,26,27)
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n/an/a 30.2n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Displacement of 125[I-Sar1-Ile8]ANG II from human AT1 receptor expressed in HEK293 membranes after 1 hr by gamma counting


Eur J Med Chem 55: 358-74 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.040
BindingDB Entry DOI: 10.7270/Q23B617T
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50389542
PNG
(CHEMBL2063981)
Show SMILES CCCCc1c(Br)nc(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23BrN6O/c1-2-3-8-19-21(23)24-20(14-30)29(19)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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n/an/a 117n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Displacement of 125[I-Sar1-Ile8]ANG II from human AT1 receptor expressed in HEK293 membranes after 1 hr by gamma counting


Eur J Med Chem 55: 358-74 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.040
BindingDB Entry DOI: 10.7270/Q23B617T
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50389542
PNG
(CHEMBL2063981)
Show SMILES CCCCc1c(Br)nc(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23BrN6O/c1-2-3-8-19-21(23)24-20(14-30)29(19)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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n/an/a 117n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Displacement of 125[I-Sar1-Ile8]ANG II from human AT1 receptor expressed in HEK293 membranes after 1 hr by gamma counting


Eur J Med Chem 55: 358-74 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.040
BindingDB Entry DOI: 10.7270/Q23B617T
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50389545
PNG
(CHEMBL2063985)
Show SMILES CCCCc1cnc(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C22H24N2O3/c1-2-3-6-18-13-23-21(15-25)24(18)14-16-9-11-17(12-10-16)19-7-4-5-8-20(19)22(26)27/h4-5,7-13,25H,2-3,6,14-15H2,1H3,(H,26,27)
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n/an/a 245n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Displacement of 125[I-Sar1-Ile8]ANG II from human AT1 receptor expressed in HEK293 membranes after 1 hr by gamma counting


Eur J Med Chem 55: 358-74 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.040
BindingDB Entry DOI: 10.7270/Q23B617T
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50389545
PNG
(CHEMBL2063985)
Show SMILES CCCCc1cnc(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C22H24N2O3/c1-2-3-6-18-13-23-21(15-25)24(18)14-16-9-11-17(12-10-16)19-7-4-5-8-20(19)22(26)27/h4-5,7-13,25H,2-3,6,14-15H2,1H3,(H,26,27)
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n/an/a 245n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Displacement of 125[I-Sar1-Ile8]ANG II from human AT1 receptor expressed in HEK293 membranes after 1 hr by gamma counting


Eur J Med Chem 55: 358-74 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.040
BindingDB Entry DOI: 10.7270/Q23B617T
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50389543
PNG
(CHEMBL2063982)
Show SMILES CCCCc1c(I)nc(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23IN6O/c1-2-3-8-19-21(23)24-20(14-30)29(19)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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n/an/a 446n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Displacement of 125[I-Sar1-Ile8]ANG II from human AT1 receptor expressed in HEK293 membranes after 1 hr by gamma counting


Eur J Med Chem 55: 358-74 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.040
BindingDB Entry DOI: 10.7270/Q23B617T
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50389543
PNG
(CHEMBL2063982)
Show SMILES CCCCc1c(I)nc(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23IN6O/c1-2-3-8-19-21(23)24-20(14-30)29(19)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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n/an/a 447n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Displacement of 125[I-Sar1-Ile8]ANG II from human AT1 receptor expressed in HEK293 membranes after 1 hr by gamma counting


Eur J Med Chem 55: 358-74 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.040
BindingDB Entry DOI: 10.7270/Q23B617T
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50389546
PNG
(CHEMBL2063980)
Show SMILES CCCCc1c(Cl)nc(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-19-21(23)24-20(14-30)29(19)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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n/an/a 631n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Displacement of 125[I-Sar1-Ile8]ANG II from human AT1 receptor expressed in HEK293 membranes after 1 hr by gamma counting


Eur J Med Chem 55: 358-74 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.040
BindingDB Entry DOI: 10.7270/Q23B617T
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50389546
PNG
(CHEMBL2063980)
Show SMILES CCCCc1c(Cl)nc(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-19-21(23)24-20(14-30)29(19)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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n/an/a 634n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Displacement of 125[I-Sar1-Ile8]ANG II from human AT1 receptor expressed in HEK293 membranes after 1 hr by gamma counting


Eur J Med Chem 55: 358-74 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.040
BindingDB Entry DOI: 10.7270/Q23B617T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%