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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mineralocorticoid receptor' and Ligand = 'BDBM50076691'   
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))
BDBM50076691
PNG
(7,7-Dimethyl-4-trifluoromethyl-5,6,7,8-tetrahydro-...)
Show SMILES CC1(C)CCc2cc3c(cc(=O)oc3cc2N1)C(F)(F)F
Show InChI InChI=1S/C15H14F3NO2/c1-14(2)4-3-8-5-9-10(15(16,17)18)6-13(20)21-12(9)7-11(8)19-14/h5-7,19H,3-4H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against human mineralocorticoid receptor (hMR)


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair