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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mineralocorticoid receptor' and Ligand = 'BDBM121447'   
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
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM121447
PNG
(US8722709, 51)
Show SMILES COc1ccc(Cn2cnc(c2-c2ccnc(NC(N)=O)c2)-c2ccc(F)cc2)c(OC)c1
Show InChI InChI=1S/C24H22FN5O3/c1-32-19-8-5-17(20(12-19)33-2)13-30-14-28-22(15-3-6-18(25)7-4-15)23(30)16-9-10-27-21(11-16)29-24(26)31/h3-12,14H,13H2,1-2H3,(H3,26,27,29,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 330n/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The MR competitive binding assay is based on the binding and displacement of a TAMRA-labeled Dexamethasone probe with fluorescence polarization (FP) ...


US Patent US8722709 (2014)


BindingDB Entry DOI: 10.7270/Q2NS0SJ4
More data for this
Ligand-Target Pair