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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Type-1 angiotensin II receptor' and Ligand = 'BDBM50044503'   
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


(RABBIT)
BDBM50044503
PNG
(5-Butyl-2-(2,2-dimethyl-propyl)-4-[2'-(2H-tetrazol...)
Show SMILES CCCCc1nn(CC(C)(C)C)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C25H31N7O/c1-5-6-11-22-28-32(17-25(2,3)4)24(33)31(22)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)23-26-29-30-27-23/h7-10,12-15H,5-6,11,16-17H2,1-4H3,(H,26,27,29,30)
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1Ile8-angiotensin 2 from angiotensin AT1 receptor in rabbit aortic membranes


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
Type-1 angiotensin II receptor


(RABBIT)
BDBM50044503
PNG
(5-Butyl-2-(2,2-dimethyl-propyl)-4-[2'-(2H-tetrazol...)
Show SMILES CCCCc1nn(CC(C)(C)C)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C25H31N7O/c1-5-6-11-22-28-32(17-25(2,3)4)24(33)31(22)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)23-26-29-30-27-23/h7-10,12-15H,5-6,11,16-17H2,1-4H3,(H,26,27,29,30)
PDB

KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 2.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of 125I[Sar,Ile] from rabbit aorta membrane Angiotensin II receptor type 1


Bioorg Med Chem Lett 4: 115-120 (1994)


Article DOI: 10.1016/S0960-894X(01)81132-X
BindingDB Entry DOI: 10.7270/Q2057FT4
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)
BDBM50044503
PNG
(5-Butyl-2-(2,2-dimethyl-propyl)-4-[2'-(2H-tetrazol...)
Show SMILES CCCCc1nn(CC(C)(C)C)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C25H31N7O/c1-5-6-11-22-28-32(17-25(2,3)4)24(33)31(22)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)23-26-29-30-27-23/h7-10,12-15H,5-6,11,16-17H2,1-4H3,(H,26,27,29,30)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonistic activity for angiotensin II receptor, type 1 by displacing 125I[Sar, ILe8 ]AII radioligand in rabbit aorta membrane without usi...


J Med Chem 36: 2558-68 (1993)


BindingDB Entry DOI: 10.7270/Q2KP817C
More data for this
Ligand-Target Pair