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Compile Data Set for Download or QSAR

Found 1 hit with Last Name = 'abonia' and Initial = 'r'   
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 (MR)


(Homo sapiens (Human))
BDBM50398064
PNG
(CHEMBL2181927)
Show SMILES CCOc1ncc(C)c2N=C(C)C([C@@H](c3ccc(cc3OC)C#N)c12)C(N)=O
Show InChI InChI=1S/C21H22N4O3/c1-5-28-21-18-17(14-7-6-13(9-22)8-15(14)27-4)16(20(23)26)12(3)25-19(18)11(2)10-24-21/h6-8,10,16-17H,5H2,1-4H3,(H2,23,26)/t16?,17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Universidad del Valle

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin)


Eur J Med Chem 60: 1-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.037
BindingDB Entry DOI: 10.7270/Q29888B0
More data for this
Ligand-Target Pair