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BDBM50089630 CHEMBL3578277

SMILES: C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(NC(C)=O)ccc2[nH]1)c1ccc(F)cc1

InChI Key: InChIKey=GCUWICLHLMZCEJ-CHAGWJKLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50089630   
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 (MR)


(Homo sapiens (Human))
BDBM50089630
PNG
(CHEMBL3578277)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(NC(C)=O)ccc2[nH]1)c1ccc(F)cc1
Show InChI InChI=1S/C27H23FN4O4/c1-16(19-8-10-20(28)11-9-19)32-25(34)27(36-26(32)35,15-18-6-4-3-5-7-18)24-30-22-13-12-21(29-17(2)33)14-23(22)31-24/h3-14,16H,15H2,1-2H3,(H,29,33)(H,30,31)/t16-,27-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interactio...


ACS Med Chem Lett 6: 461-5 (2015)

More data for this
Ligand-Target Pair