BindingDB logo
myBDB logout

BDBM50265728 CHEMBL4081121

SMILES: Cc1cccc(c1)S(=O)(=O)N1CCC2=Cc3c(C[C@@]2(C1)C(=O)c1cc(C)ccn1)cnn3-c1ccc(F)cc1

InChI Key: InChIKey=PPWKGNQJWAIXDT-PMERELPUSA-N

Data: 2 KI

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 = 50265728   
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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50265728
PNG
(CHEMBL4081121)
Show SMILES Cc1cccc(c1)S(=O)(=O)N1CCC2=Cc3c(C[C@@]2(C1)C(=O)c1cc(C)ccn1)cnn3-c1ccc(F)cc1 |r,t:14|
Show InChI InChI=1S/C30H27FN4O3S/c1-20-4-3-5-26(14-20)39(37,38)34-13-11-23-16-28-22(18-33-35(28)25-8-6-24(31)7-9-25)17-30(23,19-34)29(36)27-15-21(2)10-12-32-27/h3-10,12,14-16,18H,11,13,17,19H2,1-2H3/t30-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0800n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of fluormone GS Red from human glucocorticoid receptor after 4 hrs by fluorescence polarization assay


J Med Chem 60: 3405-3421 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00162
BindingDB Entry DOI: 10.7270/Q27083X5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50265728
PNG
(CHEMBL4081121)
Show SMILES Cc1cccc(c1)S(=O)(=O)N1CCC2=Cc3c(C[C@@]2(C1)C(=O)c1cc(C)ccn1)cnn3-c1ccc(F)cc1 |r,t:14|
Show InChI InChI=1S/C30H27FN4O3S/c1-20-4-3-5-26(14-20)39(37,38)34-13-11-23-16-28-22(18-33-35(28)25-8-6-24(31)7-9-25)17-30(23,19-34)29(36)27-15-21(2)10-12-32-27/h3-10,12,14-16,18H,11,13,17,19H2,1-2H3/t30-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.30n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human HepG2 cells assessed as inhibition of dexamethasone-induced tyrosine amino transferase activi...


J Med Chem 60: 3405-3421 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00162
BindingDB Entry DOI: 10.7270/Q27083X5
More data for this
Ligand-Target Pair