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4 similar compounds to monomer 50003156

Compile data set for download or QSAR
Wt: 429.4
BDBM50003155
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Wt: 429.4
BDBM50003158
Wt: 415.4
BDBM50403230

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50003155,50003158,50403230   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
AGTR1


(RAT)
BDBM50003155
PNG
(4-{Butyl-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1ncncc1C(O)=O
Show InChI InChI=1S/C23H23N7O2/c1-2-3-12-30(22-20(23(31)32)13-24-15-25-22)14-16-8-10-17(11-9-16)18-6-4-5-7-19(18)21-26-28-29-27-21/h4-11,13,15H,2-3,12,14H2,1H3,(H,31,32)(H,26,27,28,29)
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1.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against angiotensin II receptor from rat liver


J Med Chem 36: 2676-88 (1993)


Article DOI: 10.1021/jm00070a012
BindingDB Entry DOI: 10.7270/Q2QF8TGV
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50003158
PNG
(2-Methyl-4-{propyl-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc(C)ncc1C(O)=O
Show InChI InChI=1S/C23H23N7O2/c1-3-12-30(22-20(23(31)32)13-24-15(2)25-22)14-16-8-10-17(11-9-16)18-6-4-5-7-19(18)21-26-28-29-27-21/h4-11,13H,3,12,14H2,1-2H3,(H,31,32)(H,26,27,28,29)
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2.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against angiotensin II receptor, type 1 in rat liver


J Med Chem 35: 3714-7 (1992)


Article DOI: 10.1021/jm00098a018
BindingDB Entry DOI: 10.7270/Q2H41QCN
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50003158
PNG
(2-Methyl-4-{propyl-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc(C)ncc1C(O)=O
Show InChI InChI=1S/C23H23N7O2/c1-3-12-30(22-20(23(31)32)13-24-15(2)25-22)14-16-8-10-17(11-9-16)18-6-4-5-7-19(18)21-26-28-29-27-21/h4-11,13H,3,12,14H2,1-2H3,(H,31,32)(H,26,27,28,29)
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2.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against angiotensin II receptor from rat liver


J Med Chem 36: 2676-88 (1993)


Article DOI: 10.1021/jm00070a012
BindingDB Entry DOI: 10.7270/Q2QF8TGV
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50003155
PNG
(4-{Butyl-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1ncncc1C(O)=O
Show InChI InChI=1S/C23H23N7O2/c1-2-3-12-30(22-20(23(31)32)13-24-15-25-22)14-16-8-10-17(11-9-16)18-6-4-5-7-19(18)21-26-28-29-27-21/h4-11,13,15H,2-3,12,14H2,1H3,(H,31,32)(H,26,27,28,29)
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3.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against angiotensin II receptor, type 1 in rat liver


J Med Chem 35: 3714-7 (1992)


Article DOI: 10.1021/jm00098a018
BindingDB Entry DOI: 10.7270/Q2H41QCN
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50403230
PNG
(A-81080 | CHEMBL49410)
Show SMILES CCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1ncncc1C(O)=O
Show InChI InChI=1S/C22H21N7O2/c1-2-11-29(21-19(22(30)31)12-23-14-24-21)13-15-7-9-16(10-8-15)17-5-3-4-6-18(17)20-25-27-28-26-20/h3-10,12,14H,2,11,13H2,1H3,(H,30,31)(H,25,26,27,28)
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n/an/an/a 0.117n/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Antagonist activity at angiotensin AT1 receptor in rabbit aorta


Bioorg Med Chem 18: 8418-56 (2010)


Article DOI: 10.1016/j.bmc.2010.10.043
BindingDB Entry DOI: 10.7270/Q2H70G3T
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50403230
PNG
(A-81080 | CHEMBL49410)
Show SMILES CCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1ncncc1C(O)=O
Show InChI InChI=1S/C22H21N7O2/c1-2-11-29(21-19(22(30)31)12-23-14-24-21)13-15-7-9-16(10-8-15)17-5-3-4-6-18(17)20-25-27-28-26-20/h3-10,12,14H,2,11,13H2,1H3,(H,30,31)(H,25,26,27,28)
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n/an/an/a 0.117n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
pA2 value determined in vitro against angiotensin II receptor, type 1 using rabbit aortic rings


Bioorg Med Chem Lett 4: 173-176 (1994)


Article DOI: 10.1016/S0960-894X(01)81142-2
BindingDB Entry DOI: 10.7270/Q2G44RFS
More data for this
Ligand-Target Pair