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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'mineralocorticoid' and Ligand = 'BDBM19207'   
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


(RAT)
BDBM19207
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)CCC=C)-c1ccc(F)cc1
Show InChI InChI=1S/C23H27FN2O/c1-3-4-8-22(27)20-7-5-6-17-13-21-16(14-23(17,20)2)15-25-26(21)19-11-9-18(24)10-12-19/h3,9-13,15,20,22,27H,1,4-8,14H2,2H3/t20-,22+,23+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled aldosterone in the presence of full log scale concentrations (10-11 M to 10-6...


J Med Chem 47: 2441-52 (2004)


Article DOI: 10.1021/jm030585i
BindingDB Entry DOI: 10.7270/Q28W3BKZ
More data for this
Ligand-Target Pair