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BDBM50510666 CHEMBL4528746

SMILES: CC[C@](C(C)O)(c1ccc(cc1)C(F)(F)F)n1ncc2c(NS(C)(=O)=O)cccc12

InChI Key: InChIKey=GKBSBEVPPBUZJM-YFKXAPIDSA-N

Data: 2 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 2 hits for monomerid = 50510666   
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


(Homo sapiens (Human))
BDBM50510666
PNG
(CHEMBL4528746)
Show SMILES CC[C@](C(C)O)(c1ccc(cc1)C(F)(F)F)n1ncc2c(NS(C)(=O)=O)cccc12 |r|
Show InChI InChI=1S/C20H22F3N3O3S/c1-4-19(13(2)27,14-8-10-15(11-9-14)20(21,22)23)26-18-7-5-6-17(16(18)12-24-26)25-30(3,28)29/h5-13,25,27H,4H2,1-3H3/t13?,19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin)


Bioorg Med Chem Lett 29: 1854-1858 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.024
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50510666
PNG
(CHEMBL4528746)
Show SMILES CC[C@](C(C)O)(c1ccc(cc1)C(F)(F)F)n1ncc2c(NS(C)(=O)=O)cccc12 |r|
Show InChI InChI=1S/C20H22F3N3O3S/c1-4-19(13(2)27,14-8-10-15(11-9-14)20(21,22)23)26-18-7-5-6-17(16(18)12-24-26)25-30(3,28)29/h5-13,25,27H,4H2,1-3H3/t13?,19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.64E+3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by gel filtration assay


Bioorg Med Chem Lett 29: 1854-1858 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.024
More data for this
Ligand-Target Pair