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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 = 'BDBM50486804'   
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)
BDBM50486804
PNG
(CHEMBL2236976)
Show SMILES CCCCC(=O)Nc1ccc(Cl)c(c1)-n1nc(CCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)c2cc(Cl)ccc2Cl)c1=O
Show InChI InChI=1S/C36H33Cl3FN5O5S/c1-3-5-11-34(46)41-25-15-17-29(39)31(20-25)45-36(48)44(33(42-45)8-4-2)21-23-13-12-22(18-30(23)40)26-9-6-7-10-32(26)51(49,50)43-35(47)27-19-24(37)14-16-28(27)38/h6-7,9-10,12-20H,3-5,8,11,21H2,1-2H3,(H,41,46)(H,43,47)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 0.190n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at Oryctolagus cuniculus (rabbit) aortic AT1 receptor


Citation and Details

Article DOI: 10.1007/s00044-011-9815-x
BindingDB Entry DOI: 10.7270/Q2VT1W0S
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)
BDBM50486804
PNG
(CHEMBL2236976)
Show SMILES CCCCC(=O)Nc1ccc(Cl)c(c1)-n1nc(CCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)c2cc(Cl)ccc2Cl)c1=O
Show InChI InChI=1S/C36H33Cl3FN5O5S/c1-3-5-11-34(46)41-25-15-17-29(39)31(20-25)45-36(48)44(33(42-45)8-4-2)21-23-13-12-22(18-30(23)40)26-9-6-7-10-32(26)51(49,50)43-35(47)27-19-24(37)14-16-28(27)38/h6-7,9-10,12-20H,3-5,8,11,21H2,1-2H3,(H,41,46)(H,43,47)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 0.190n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at Oryctolagus cuniculus (rabbit) aortic AT1 receptor


Citation and Details

Article DOI: 10.1007/s00044-011-9815-x
BindingDB Entry DOI: 10.7270/Q2VT1W0S
More data for this
Ligand-Target Pair