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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'mineralocorticoid' and Ligand = 'BDBM50167799'   
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)
BDBM50167799
PNG
(1-(4-fluorophenyl)-4a-methyl-4',5'-divinyl-(4'R,4a...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCCC21O[C@H](C=C)[C@H](O1)C=C)-c1ccc(F)cc1
Show InChI InChI=1S/C24H25FN2O2/c1-4-21-22(5-2)29-24(28-21)12-6-7-17-13-20-16(14-23(17,24)3)15-26-27(20)19-10-8-18(25)9-11-19/h4-5,8-11,13,15,21-22H,1-2,6-7,12,14H2,3H3/t21-,22-,23+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat mineralocorticoid receptor


Bioorg Med Chem Lett 15: 2926-31 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.027
BindingDB Entry DOI: 10.7270/Q2X34X0Q
More data for this
Ligand-Target Pair