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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50039862   
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)
BDBM50039862
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1F
Show InChI InChI=1S/C33H28F4N4O4S/c1-2-3-16-30-38-41(28-14-8-6-12-26(28)33(35,36)37)32(43)40(30)21-22-17-19-23(20-18-22)24-10-5-9-15-29(24)46(44,45)39-31(42)25-11-4-7-13-27(25)34/h4-15,17-20H,2-3,16,21H2,1H3,(H,39,42)
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 0.130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII


J Med Chem 37: 2808-24 (1994)


BindingDB Entry DOI: 10.7270/Q2M907QM
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)
BDBM50039862
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1F
Show InChI InChI=1S/C33H28F4N4O4S/c1-2-3-16-30-38-41(28-14-8-6-12-26(28)33(35,36)37)32(43)40(30)21-22-17-19-23(20-18-22)24-10-5-9-15-29(24)46(44,45)39-31(42)25-11-4-7-13-27(25)34/h4-15,17-20H,2-3,16,21H2,1H3,(H,39,42)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 53n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin II rat midbrain AT2 receptor using radioligand [125I]-Sar Ile-AII


J Med Chem 37: 2808-24 (1994)


BindingDB Entry DOI: 10.7270/Q2M907QM
More data for this
Ligand-Target Pair