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Articleid 50029221

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
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50282377
PNG
(2-Butyl-7-methyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCCc1nc2c(C)cnc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C26H25N7O2/c1-3-4-9-21-28-22-16(2)14-27-23(26(34)35)24(22)33(21)15-17-10-12-18(13-11-17)19-7-5-6-8-20(19)25-29-31-32-30-25/h5-8,10-14H,3-4,9,15H2,1-2H3,(H,34,35)(H,29,30,31,32)
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Article
n/an/a 36n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-AII binding to Angiotensin II receptor from membrane fractions of bovine adrenal cortex


Bioorg Med Chem Lett 4: 35-40 (1994)


Article DOI: 10.1016/S0960-894X(01)81118-5
BindingDB Entry DOI: 10.7270/Q21Z44CP
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50282379
PNG
(2-Propyl-1-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...)
Show SMILES CCCc1cn2ncc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C23H21N7O2/c1-2-5-17-14-30-22(20(12-24-30)23(31)32)29(17)13-15-8-10-16(11-9-15)18-6-3-4-7-19(18)21-25-27-28-26-21/h3-4,6-12,14H,2,5,13H2,1H3,(H,31,32)(H,25,26,27,28)
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n/an/a 48n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-AII binding to Angiotensin II receptor from membrane fractions of bovine adrenal cortex


Bioorg Med Chem Lett 4: 35-40 (1994)


Article DOI: 10.1016/S0960-894X(01)81118-5
BindingDB Entry DOI: 10.7270/Q21Z44CP
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50282373
PNG
(2-Butyl-7-methyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCCc1nc2c(C)cncc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C25H25N7/c1-3-4-9-23-27-24-17(2)14-26-15-22(24)32(23)16-18-10-12-19(13-11-18)20-7-5-6-8-21(20)25-28-30-31-29-25/h5-8,10-15H,3-4,9,16H2,1-2H3,(H,28,29,30,31)
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Article
n/an/a 54n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-AII binding to Angiotensin II receptor from membrane fractions of bovine adrenal cortex


Bioorg Med Chem Lett 4: 35-40 (1994)


Article DOI: 10.1016/S0960-894X(01)81118-5
BindingDB Entry DOI: 10.7270/Q21Z44CP
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
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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Article
n/an/a 110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-AII binding to Angiotensin II receptor from membrane fractions of bovine adrenal cortex


Bioorg Med Chem Lett 4: 35-40 (1994)


Article DOI: 10.1016/S0960-894X(01)81118-5
BindingDB Entry DOI: 10.7270/Q21Z44CP
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50282374
PNG
(2-Ethoxy-1-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...)
Show SMILES CCOc1nc2ccccc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C23H20N6O/c1-2-30-23-24-20-9-5-6-10-21(20)29(23)15-16-11-13-17(14-12-16)18-7-3-4-8-19(18)22-25-27-28-26-22/h3-14H,2,15H2,1H3,(H,25,26,27,28)
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Article
n/an/a 390n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-AII binding to Angiotensin II receptor from membrane fractions of bovine adrenal cortex


Bioorg Med Chem Lett 4: 35-40 (1994)


Article DOI: 10.1016/S0960-894X(01)81118-5
BindingDB Entry DOI: 10.7270/Q21Z44CP
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50282376
PNG
(2-Ethylsulfanyl-4-methyl-1-[2'-(1H-tetrazol-5-yl)-...)
Show SMILES CCSc1nc2c(C)sc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C23H20N6O2S2/c1-3-32-23-24-18-13(2)33-20(22(30)31)19(18)29(23)12-14-8-10-15(11-9-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-11H,3,12H2,1-2H3,(H,30,31)(H,25,26,27,28)
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-AII binding to Angiotensin II receptor from membrane fractions of bovine adrenal cortex


Bioorg Med Chem Lett 4: 35-40 (1994)


Article DOI: 10.1016/S0960-894X(01)81118-5
BindingDB Entry DOI: 10.7270/Q21Z44CP
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50282378
PNG
(2-Ethylsulfanyl-4-methyl-1-[2'-(1H-tetrazol-5-yl)-...)
Show SMILES CCSc1nc2c(C)scc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H20N6S2/c1-3-29-22-23-20-14(2)30-13-19(20)28(22)12-15-8-10-16(11-9-15)17-6-4-5-7-18(17)21-24-26-27-25-21/h4-11,13H,3,12H2,1-2H3,(H,24,25,26,27)
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n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-AII binding to Angiotensin II receptor from membrane fractions of bovine adrenal cortex


Bioorg Med Chem Lett 4: 35-40 (1994)


Article DOI: 10.1016/S0960-894X(01)81118-5
BindingDB Entry DOI: 10.7270/Q21Z44CP
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50282375
PNG
(2-Propyl-1-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...)
Show SMILES CCCc1cn2nccc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H21N7/c1-2-5-18-15-29-21(12-13-23-29)28(18)14-16-8-10-17(11-9-16)19-6-3-4-7-20(19)22-24-26-27-25-22/h3-4,6-13,15H,2,5,14H2,1H3,(H,24,25,26,27)
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Article
n/an/a 3.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-AII binding to Angiotensin II receptor from membrane fractions of bovine adrenal cortex


Bioorg Med Chem Lett 4: 35-40 (1994)


Article DOI: 10.1016/S0960-894X(01)81118-5
BindingDB Entry DOI: 10.7270/Q21Z44CP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%