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Compile Data Set for Download or QSAR

Found 29 hits with Last Name = 'agelis' and Initial = 'g'   
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
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50490702
PNG
(CHEMBL2337686)
Show SMILES [Br-].CCCCc1c[n+](Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C35H33N10/c1-2-3-8-29-23-44(21-25-13-17-27(18-14-25)30-9-4-6-11-32(30)34-36-40-41-37-34)24-45(29)22-26-15-19-28(20-16-26)31-10-5-7-12-33(31)35-38-42-43-39-35/h4-7,9-20,23-24H,2-3,8,21-22H2,1H3,(H,36,37,40,41)(H,38,39,42,43)/q+1
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n/an/a 0.347n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis


Eur J Med Chem 62: 352-70 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.044
BindingDB Entry DOI: 10.7270/Q2DF6V47
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50490707
PNG
(CHEMBL2337687)
Show SMILES [K;v0+].[K;v0+].[Br-].[#6]-[#6]-[#6]-[#6]-c1c[n+](-[#6]-c2ccc(cc2)-c2ccccc2-c2nn[n-]n2)cn1-[#6]-c1ccc(cc1)-c1ccccc1-c1nn[n-]n1
Show InChI InChI=1S/C35H31N10/c1-2-3-8-29-23-44(21-25-13-17-27(18-14-25)30-9-4-6-11-32(30)34-36-40-41-37-34)24-45(29)22-26-15-19-28(20-16-26)31-10-5-7-12-33(31)35-38-42-43-39-35/h4-7,9-20,23-24H,2-3,8,21-22H2,1H3/q-1
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n/an/a 0.912n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis


Eur J Med Chem 62: 352-70 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.044
BindingDB Entry DOI: 10.7270/Q2DF6V47
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50490709
PNG
(CHEMBL2337688)
Show SMILES [Na;v0+].[Na;v0+].[Br-].[#6]-[#6]-[#6]-[#6]-c1c[n+](-[#6]-c2ccc(cc2)-c2ccccc2-c2nn[n-]n2)cn1-[#6]-c1ccc(cc1)-c1ccccc1-c1nn[n-]n1
Show InChI InChI=1S/C35H31N10/c1-2-3-8-29-23-44(21-25-13-17-27(18-14-25)30-9-4-6-11-32(30)34-36-40-41-37-34)24-45(29)22-26-15-19-28(20-16-26)31-10-5-7-12-33(31)35-38-42-43-39-35/h4-7,9-20,23-24H,2-3,8,21-22H2,1H3/q-1
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n/an/a 2.90n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis


Eur J Med Chem 62: 352-70 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.044
BindingDB Entry DOI: 10.7270/Q2DF6V47
More data for this
Ligand-Target Pair
Type-1 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
Type-1 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
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50490706
PNG
(CHEMBL2337677)
Show SMILES [Br-].CCCCc1c[n+](Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C36H35N10O/c1-2-3-8-29-23-45(21-25-13-17-27(18-14-25)30-9-4-6-11-32(30)35-37-41-42-38-35)34(24-47)46(29)22-26-15-19-28(20-16-26)31-10-5-7-12-33(31)36-39-43-44-40-36/h4-7,9-20,23,47H,2-3,8,21-22,24H2,1H3,(H,37,38,41,42)(H,39,40,43,44)/q+1
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n/an/a 4.30n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis


Eur J Med Chem 62: 352-70 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.044
BindingDB Entry DOI: 10.7270/Q2DF6V47
More data for this
Ligand-Target Pair
Type-1 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 5.60n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis


Eur J Med Chem 62: 352-70 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.044
BindingDB Entry DOI: 10.7270/Q2DF6V47
More data for this
Ligand-Target Pair
Type-1 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
Type-1 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
Type-1 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
Type-1 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
Type-1 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
Type-1 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
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50490699
PNG
(CHEMBL2337681)
Show SMILES [Br-].CCCCc1c(Br)[n+](Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C36H34BrN10O/c1-2-3-12-32-34(37)47(22-25-15-19-27(20-16-25)29-9-5-7-11-31(29)36-40-44-45-41-36)33(23-48)46(32)21-24-13-17-26(18-14-24)28-8-4-6-10-30(28)35-38-42-43-39-35/h4-11,13-20,48H,2-3,12,21-23H2,1H3,(H,38,39,42,43)(H,40,41,44,45)/q+1
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n/an/a 43n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis


Eur J Med Chem 62: 352-70 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.044
BindingDB Entry DOI: 10.7270/Q2DF6V47
More data for this
Ligand-Target Pair
Type-1 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
Type-1 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
Type-1 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
Type-1 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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PubMed
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
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50490704
PNG
(CHEMBL2337684)
Show SMILES [Br-].CCCCc1c[n+](Cc2ccc(cc2)-c2ccccc2C(O)=O)cn1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C35H32N2O4/c1-2-3-8-29-23-36(21-25-13-17-27(18-14-25)30-9-4-6-11-32(30)34(38)39)24-37(29)22-26-15-19-28(20-16-26)31-10-5-7-12-33(31)35(40)41/h4-7,9-20,23-24H,2-3,8,21-22H2,1H3,(H-,38,39,40,41)/p+1
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n/an/a 331n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis


Eur J Med Chem 62: 352-70 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.044
BindingDB Entry DOI: 10.7270/Q2DF6V47
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50490698
PNG
(CHEMBL2337683)
Show SMILES [Br-].CCCCc1n(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c(CO)c[n+]1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C36H35N10O/c1-2-3-12-34-45(21-25-13-17-27(18-14-25)30-8-4-6-10-32(30)35-37-41-42-38-35)23-29(24-47)46(34)22-26-15-19-28(20-16-26)31-9-5-7-11-33(31)36-39-43-44-40-36/h4-11,13-20,23,47H,2-3,12,21-22,24H2,1H3,(H,37,38,41,42)(H,39,40,43,44)/q+1
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n/an/a 417n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis


Eur J Med Chem 62: 352-70 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.044
BindingDB Entry DOI: 10.7270/Q2DF6V47
More data for this
Ligand-Target Pair
Type-1 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
Type-1 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
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50490708
PNG
(CHEMBL2337685)
Show SMILES [Br-].CCCCc1c[n+](Cc2ccc(cc2)-c2ccccc2C(O)=O)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C36H34N2O5/c1-2-3-8-29-23-37(21-25-13-17-27(18-14-25)30-9-4-6-11-32(30)35(40)41)34(24-39)38(29)22-26-15-19-28(20-16-26)31-10-5-7-12-33(31)36(42)43/h4-7,9-20,23,39H,2-3,8,21-22,24H2,1H3,(H-,40,41,42,43)/p+1
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n/an/a 501n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis


Eur J Med Chem 62: 352-70 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.044
BindingDB Entry DOI: 10.7270/Q2DF6V47
More data for this
Ligand-Target Pair
Type-1 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
Type-1 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
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50490701
PNG
(CHEMBL2337679)
Show SMILES [Br-].CCCCc1c(Br)[n+](Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C35H32BrN10/c1-2-3-12-32-33(36)46(22-25-15-19-27(20-16-25)29-9-5-7-11-31(29)35-39-43-44-40-35)23-45(32)21-24-13-17-26(18-14-24)28-8-4-6-10-30(28)34-37-41-42-38-34/h4-11,13-20,23H,2-3,12,21-22H2,1H3,(H,37,38,41,42)(H,39,40,43,44)/q+1
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n/an/a 708n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis


Eur J Med Chem 62: 352-70 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.044
BindingDB Entry DOI: 10.7270/Q2DF6V47
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50490703
PNG
(CHEMBL2337678)
Show SMILES [Br-].CCCCc1c(Cl)[n+](Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C35H32ClN10/c1-2-3-12-32-33(36)46(22-25-15-19-27(20-16-25)29-9-5-7-11-31(29)35-39-43-44-40-35)23-45(32)21-24-13-17-26(18-14-24)28-8-4-6-10-30(28)34-37-41-42-38-34/h4-11,13-20,23H,2-3,12,21-22H2,1H3,(H,37,38,41,42)(H,39,40,43,44)/q+1
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n/an/a 832n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis


Eur J Med Chem 62: 352-70 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.044
BindingDB Entry DOI: 10.7270/Q2DF6V47
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50490705
PNG
(CHEMBL2337682)
Show SMILES [Br-].CCCCc1n(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)cc[n+]1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C35H33N10/c1-2-3-12-33-44(23-25-13-17-27(18-14-25)29-8-4-6-10-31(29)34-36-40-41-37-34)21-22-45(33)24-26-15-19-28(20-16-26)30-9-5-7-11-32(30)35-38-42-43-39-35/h4-11,13-22H,2-3,12,23-24H2,1H3,(H,36,37,40,41)(H,38,39,42,43)/q+1
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis


Eur J Med Chem 62: 352-70 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.044
BindingDB Entry DOI: 10.7270/Q2DF6V47
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50490700
PNG
(CHEMBL2337680)
Show SMILES [Br-].CCCCc1c(Cl)[n+](Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C36H34ClN10O/c1-2-3-12-32-34(37)47(22-25-15-19-27(20-16-25)29-9-5-7-11-31(29)36-40-44-45-41-36)33(23-48)46(32)21-24-13-17-26(18-14-24)28-8-4-6-10-30(28)35-38-42-43-39-35/h4-11,13-20,48H,2-3,12,21-23H2,1H3,(H,38,39,42,43)(H,40,41,44,45)/q+1
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n/an/a 6.46E+3n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis


Eur J Med Chem 62: 352-70 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.044
BindingDB Entry DOI: 10.7270/Q2DF6V47
More data for this
Ligand-Target Pair