BindingDB logo
myBDB logout

BDBM50336279 (R)-3-methyl-1-oxo-3,4,5,6,7,8,9,10-octahydro-1H-benzo[c][1]oxacyclododecine-12,14-diyl bis(4-methylbenzenesulfonate)::CHEMBL1669768

SMILES: C[C@@H]1CCCCCCCc2cc(OS(=O)(=O)c3ccc(C)cc3)cc(OS(=O)(=O)c3ccc(C)cc3)c2C(=O)O1

InChI Key: InChIKey=XDNBSHDAIYZZKU-HSZRJFAPSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50336279   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Mineralocorticoid receptor


(RAT)		BDBM50336279
PNG
((R)-3-methyl-1-oxo-3,4,5,6,7,8,9,10-octahydro-1H-b...)
Show SMILES C[C@@H]1CCCCCCCc2cc(OS(=O)(=O)c3ccc(C)cc3)cc(OS(=O)(=O)c3ccc(C)cc3)c2C(=O)O1 |r|
Show InChI InChI=1S/C30H34O8S2/c1-21-11-15-26(16-12-21)39(32,33)37-25-19-24-10-8-6-4-5-7-9-23(3)36-30(31)29(24)28(20-25)38-40(34,35)27-17-13-22(2)14-18-27/h11-20,23H,4-10H2,1-3H3/t23-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.51E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at rat mineralocorticoid receptor-ligand binding domain expressed in AH109 yeast cells co expressing pGADT7-hSRC-1 by two hybrid ...

Bioorg Med Chem Lett 21: 1171-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.101
BindingDB Entry DOI: 10.7270/Q2X92BKM
More data for this
Ligand-Target Pair