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BDBM50340669 5,7-difluoro-2,2-dimethyl-6-(3-methyl-1H-indol-7-yl)-2,3-dihydroquinolin-4(1H)-one O-benzyl oxime::CHEMBL1762206

SMILES: Cc1c[nH]c2c(cccc12)-c1c(F)cc2NC(C)(C)C\C(=N/OCc3ccccc3)c2c1F

InChI Key: InChIKey=AWWXSWMNIGJPHA-WEMUVCOSSA-N

Data: 1 KI  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 2 hits for monomerid = 50340669   
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))
BDBM50340669
PNG
(5,7-difluoro-2,2-dimethyl-6-(3-methyl-1H-indol-7-y...)
Show SMILES Cc1c[nH]c2c(cccc12)-c1c(F)cc2NC(C)(C)C\C(=N/OCc3ccccc3)c2c1F |(21.48,-35.88,;22.81,-36.65,;23.44,-38.07,;24.98,-37.9,;25.3,-36.39,;26.64,-35.62,;26.64,-34.08,;25.3,-33.3,;23.97,-34.08,;23.96,-35.62,;27.96,-36.4,;27.96,-37.94,;26.63,-38.7,;29.28,-38.71,;30.61,-37.96,;31.94,-38.73,;33.28,-37.98,;34.6,-37.2,;34.6,-38.74,;33.29,-36.43,;31.96,-35.65,;31.97,-34.11,;33.31,-33.35,;33.32,-31.81,;34.65,-31.05,;35.97,-31.83,;37.31,-31.07,;37.32,-29.53,;35.98,-28.76,;34.65,-29.52,;30.62,-36.41,;29.29,-35.63,;29.3,-34.1,)|
Show InChI InChI=1S/C27H25F2N3O/c1-16-14-30-26-18(16)10-7-11-19(26)23-20(28)12-21-24(25(23)29)22(13-27(2,3)31-21)32-33-15-17-8-5-4-6-9-17/h4-12,14,30-31H,13,15H2,1-3H3/b32-22+
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
5.80n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled dexamethasone from glucocorticoid receptor expressed in baculovirus


Bioorg Med Chem Lett 21: 1654-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.104
BindingDB Entry DOI: 10.7270/Q21V5F8D
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50340669
PNG
(5,7-difluoro-2,2-dimethyl-6-(3-methyl-1H-indol-7-y...)
Show SMILES Cc1c[nH]c2c(cccc12)-c1c(F)cc2NC(C)(C)C\C(=N/OCc3ccccc3)c2c1F |(21.48,-35.88,;22.81,-36.65,;23.44,-38.07,;24.98,-37.9,;25.3,-36.39,;26.64,-35.62,;26.64,-34.08,;25.3,-33.3,;23.97,-34.08,;23.96,-35.62,;27.96,-36.4,;27.96,-37.94,;26.63,-38.7,;29.28,-38.71,;30.61,-37.96,;31.94,-38.73,;33.28,-37.98,;34.6,-37.2,;34.6,-38.74,;33.29,-36.43,;31.96,-35.65,;31.97,-34.11,;33.31,-33.35,;33.32,-31.81,;34.65,-31.05,;35.97,-31.83,;37.31,-31.07,;37.32,-29.53,;35.98,-28.76,;34.65,-29.52,;30.62,-36.41,;29.29,-35.63,;29.3,-34.1,)|
Show InChI InChI=1S/C27H25F2N3O/c1-16-14-30-26-18(16)10-7-11-19(26)23-20(28)12-21-24(25(23)29)22(13-27(2,3)31-21)32-33-15-17-8-5-4-6-9-17/h4-12,14,30-31H,13,15H2,1-3H3/b32-22+
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 8.80n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human HepG2 cells assessed as inhibition of TNFalpha/IL1beta-stimulated NFkappaB-dependent E-s...


Bioorg Med Chem Lett 21: 1654-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.104
BindingDB Entry DOI: 10.7270/Q21V5F8D
More data for this
Ligand-Target Pair