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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Angiotensin II AT2' and Ligand = 'BDBM50283761'   
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
Angiotensin II AT2


(RAT)
BDBM50283761
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C36H34ClF3N4O4S/c1-3-5-15-33-41-44(31-14-9-7-12-29(31)36(38,39)40)35(46)43(33)23-25-16-19-26(20-17-25)28-22-24(10-4-2)18-21-32(28)49(47,48)42-34(45)27-11-6-8-13-30(27)37/h6-9,11-14,16-22H,3-5,10,15,23H2,1-2H3,(H,42,45)
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability of the compound to inhibit the binding of radioligand 125I[Sar1,IIe8]AII to AT2 receptor from rat midbrain


Bioorg Med Chem Lett 4: 2787-2792 (1994)


Article DOI: 10.1016/S0960-894X(01)80595-3
BindingDB Entry DOI: 10.7270/Q2WS8T68
More data for this
Ligand-Target Pair