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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Type-1 angiotensin II receptor' and Ligand = 'BDBM50043434'   
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)
BDBM50043434
PNG
(2-Ethyl-5,7-dimethyl-4-{1-[phenyl-(1H-tetrazol-5-y...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc2N(CCc2c1)C(c1nnn[nH]1)c1ccccc1
Show InChI InChI=1S/C27H28N8/c1-4-23-29-24-17(2)14-18(3)28-27(24)35(23)16-19-10-11-22-21(15-19)12-13-34(22)25(26-30-32-33-31-26)20-8-6-5-7-9-20/h5-11,14-15,25H,4,12-13,16H2,1-3H3,(H,30,31,32,33)
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Binding affinity to angiotensin AT1 receptor in rabbit aortic rings


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)
BDBM50043434
PNG
(2-Ethyl-5,7-dimethyl-4-{1-[phenyl-(1H-tetrazol-5-y...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc2N(CCc2c1)C(c1nnn[nH]1)c1ccccc1
Show InChI InChI=1S/C27H28N8/c1-4-23-29-24-17(2)14-18(3)28-27(24)35(23)16-19-10-11-22-21(15-19)12-13-34(22)25(26-30-32-33-31-26)20-8-6-5-7-9-20/h5-11,14-15,25H,4,12-13,16H2,1-3H3,(H,30,31,32,33)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonist activity against angiotensin II receptor type 1 in rabbit aorta using [125I]-Sar, Ile AII.


J Med Chem 36: 4230-8 (1994)


BindingDB Entry DOI: 10.7270/Q26M35X0
More data for this
Ligand-Target Pair