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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50039877   
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)
BDBM50039877
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)c1oc2ccccc2c1C
Show InChI InChI=1S/C36H31F3N4O5S/c1-3-4-17-32-40-43(29-14-8-7-13-28(29)36(37,38)39)35(45)42(32)22-24-18-20-25(21-19-24)27-12-6-10-16-31(27)49(46,47)41-34(44)33-23(2)26-11-5-9-15-30(26)48-33/h5-16,18-21H,3-4,17,22H2,1-2H3,(H,41,44)
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.430n/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)
BDBM50039877
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)c1oc2ccccc2c1C
Show InChI InChI=1S/C36H31F3N4O5S/c1-3-4-17-32-40-43(29-14-8-7-13-28(29)36(37,38)39)35(45)42(32)22-24-18-20-25(21-19-24)27-12-6-10-16-31(27)49(46,47)41-34(44)33-23(2)26-11-5-9-15-30(26)48-33/h5-16,18-21H,3-4,17,22H2,1-2H3,(H,41,44)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 130n/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