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Articleid 50029195

Compile data set for download or QSAR
Found 10 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 type 1a (AT-1a) receptor


(RABBIT)
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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n/an/a 0.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound towards Angiotensin II type 1-AT1 receptor determined as its ability to displace 125I-Sarl,Ile8-AII from th...


Bioorg Med Chem Lett 3: 1693-1696 (1993)


Article DOI: 10.1016/S0960-894X(00)80044-X
BindingDB Entry DOI: 10.7270/Q2CF9Q12
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50009719
PNG
(7-Methyl-2-propyl-3-[2'-(2H-tetrazol-5-yl)-bipheny...)
Show SMILES CCCc1nc2c(C)ccnc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H23N7/c1-3-6-21-26-22-16(2)13-14-25-24(22)31(21)15-17-9-11-18(12-10-17)19-7-4-5-8-20(19)23-27-29-30-28-23/h4-5,7-14H,3,6,15H2,1-2H3,(H,27,28,29,30)
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound towards Angiotensin II type 1-AT1 receptor determined as its ability to displace 125I-Sarl,Ile8-AII from th...


Bioorg Med Chem Lett 3: 1693-1696 (1993)


Article DOI: 10.1016/S0960-894X(00)80044-X
BindingDB Entry DOI: 10.7270/Q2CF9Q12
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50145961
PNG
(7-Methyl-2-propyl-3-{4-[3-(2H-tetrazol-5-yl)-pyrid...)
Show SMILES CCCc1nc2c(C)ccnc2n1Cc1ccc(cc1)-c1ccncc1-c1nnn[nH]1
Show InChI InChI=1S/C23H22N8/c1-3-4-20-26-21-15(2)9-12-25-23(21)31(20)14-16-5-7-17(8-6-16)18-10-11-24-13-19(18)22-27-29-30-28-22/h5-13H,3-4,14H2,1-2H3,(H,27,28,29,30)
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound towards Angiotensin II type 1-AT1 receptor determined as its ability to displace 125I-Sarl,Ile8-AII from th...


Bioorg Med Chem Lett 3: 1693-1696 (1993)


Article DOI: 10.1016/S0960-894X(00)80044-X
BindingDB Entry DOI: 10.7270/Q2CF9Q12
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50145974
PNG
(7-Methyl-2-propyl-3-{4-[2-(2H-tetrazol-5-yl)-pyrid...)
Show SMILES CCCc1nc2c(C)ccnc2n1Cc1ccc(cc1)-c1cccnc1-c1nnn[nH]1
Show InChI InChI=1S/C23H22N8/c1-3-5-19-26-20-15(2)11-13-25-23(20)31(19)14-16-7-9-17(10-8-16)18-6-4-12-24-21(18)22-27-29-30-28-22/h4,6-13H,3,5,14H2,1-2H3,(H,27,28,29,30)
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n/an/a 60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound towards Angiotensin II type 1-AT1 receptor determined as its ability to displace 125I-Sarl,Ile8-AII from th...


Bioorg Med Chem Lett 3: 1693-1696 (1993)


Article DOI: 10.1016/S0960-894X(00)80044-X
BindingDB Entry DOI: 10.7270/Q2CF9Q12
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50145985
PNG
(7-Methyl-2-propyl-3-{4-[3-(2H-tetrazol-5-yl)-pyrid...)
Show SMILES CCCc1nc2c(C)ccnc2n1Cc1ccc(cc1)-c1ncccc1-c1nnn[nH]1
Show InChI InChI=1S/C23H22N8/c1-3-5-19-26-20-15(2)11-13-25-23(20)31(19)14-16-7-9-17(10-8-16)21-18(6-4-12-24-21)22-27-29-30-28-22/h4,6-13H,3,5,14H2,1-2H3,(H,27,28,29,30)
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n/an/a 116n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound towards Angiotensin II type 1-AT1 receptor determined as its ability to displace 125I-Sarl,Ile8-AII from th...


Bioorg Med Chem Lett 3: 1693-1696 (1993)


Article DOI: 10.1016/S0960-894X(00)80044-X
BindingDB Entry DOI: 10.7270/Q2CF9Q12
More data for this
Ligand-Target Pair
Angiotensin II AT2


(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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n/an/a>2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound towards Angiotensin II receptor, type 2 determined as its ability to displace 125I-Sarl,Ile8-AII from the r...


Bioorg Med Chem Lett 3: 1693-1696 (1993)


Article DOI: 10.1016/S0960-894X(00)80044-X
BindingDB Entry DOI: 10.7270/Q2CF9Q12
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50145985
PNG
(7-Methyl-2-propyl-3-{4-[3-(2H-tetrazol-5-yl)-pyrid...)
Show SMILES CCCc1nc2c(C)ccnc2n1Cc1ccc(cc1)-c1ncccc1-c1nnn[nH]1
Show InChI InChI=1S/C23H22N8/c1-3-5-19-26-20-15(2)11-13-25-23(20)31(19)14-16-7-9-17(10-8-16)21-18(6-4-12-24-21)22-27-29-30-28-22/h4,6-13H,3,5,14H2,1-2H3,(H,27,28,29,30)
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n/an/a>2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound towards Angiotensin II receptor, type 2 determined as its ability to displace 125I-Sarl,Ile8-AII from the r...


Bioorg Med Chem Lett 3: 1693-1696 (1993)


Article DOI: 10.1016/S0960-894X(00)80044-X
BindingDB Entry DOI: 10.7270/Q2CF9Q12
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50145974
PNG
(7-Methyl-2-propyl-3-{4-[2-(2H-tetrazol-5-yl)-pyrid...)
Show SMILES CCCc1nc2c(C)ccnc2n1Cc1ccc(cc1)-c1cccnc1-c1nnn[nH]1
Show InChI InChI=1S/C23H22N8/c1-3-5-19-26-20-15(2)11-13-25-23(20)31(19)14-16-7-9-17(10-8-16)18-6-4-12-24-21(18)22-27-29-30-28-22/h4,6-13H,3,5,14H2,1-2H3,(H,27,28,29,30)
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Article
n/an/a>2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound towards Angiotensin II receptor, type 2 determined as its ability to displace 125I-Sarl,Ile8-AII from the r...


Bioorg Med Chem Lett 3: 1693-1696 (1993)


Article DOI: 10.1016/S0960-894X(00)80044-X
BindingDB Entry DOI: 10.7270/Q2CF9Q12
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50145961
PNG
(7-Methyl-2-propyl-3-{4-[3-(2H-tetrazol-5-yl)-pyrid...)
Show SMILES CCCc1nc2c(C)ccnc2n1Cc1ccc(cc1)-c1ccncc1-c1nnn[nH]1
Show InChI InChI=1S/C23H22N8/c1-3-4-20-26-21-15(2)9-12-25-23(21)31(20)14-16-5-7-17(8-6-16)18-10-11-24-13-19(18)22-27-29-30-28-22/h5-13H,3-4,14H2,1-2H3,(H,27,28,29,30)
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Article
n/an/a>2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound towards Angiotensin II receptor, type 2 determined as its ability to displace 125I-Sarl,Ile8-AII from the r...


Bioorg Med Chem Lett 3: 1693-1696 (1993)


Article DOI: 10.1016/S0960-894X(00)80044-X
BindingDB Entry DOI: 10.7270/Q2CF9Q12
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50009719
PNG
(7-Methyl-2-propyl-3-[2'-(2H-tetrazol-5-yl)-bipheny...)
Show SMILES CCCc1nc2c(C)ccnc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H23N7/c1-3-6-21-26-22-16(2)13-14-25-24(22)31(21)15-17-9-11-18(12-10-17)19-7-4-5-8-20(19)23-27-29-30-28-23/h4-5,7-14H,3,6,15H2,1-2H3,(H,27,28,29,30)
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Article
n/an/a>2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound towards Angiotensin II receptor, type 2 determined as its ability to displace 125I-Sarl,Ile8-AII from the r...


Bioorg Med Chem Lett 3: 1693-1696 (1993)


Article DOI: 10.1016/S0960-894X(00)80044-X
BindingDB Entry DOI: 10.7270/Q2CF9Q12
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%