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SMILES: Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(NS(=O)(=O)c2ccccc2)cc1C(F)(F)F

InChI Key: InChIKey=VJOBZFNFYPDFML-UHFFFAOYSA-N

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 5 hits for monomerid = 50416071   
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
Androgen receptor


(Homo sapiens (Human))
BDBM50416071
PNG
(CHEMBL1083783)
Show SMILES Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(NS(=O)(=O)c2ccccc2)cc1C(F)(F)F
Show InChI InChI=1S/C26H17F4N3O2S/c27-19-7-10-21(11-8-19)33-25-13-6-17(14-18(25)16-31-33)23-12-9-20(15-24(23)26(28,29)30)32-36(34,35)22-4-2-1-3-5-22/h1-16,32H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 6.31E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to AR


J Med Chem 53: 4531-44 (2010)


Article DOI: 10.1021/jm100447c
BindingDB Entry DOI: 10.7270/Q20003BB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50416071
PNG
(CHEMBL1083783)
Show SMILES Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(NS(=O)(=O)c2ccccc2)cc1C(F)(F)F
Show InChI InChI=1S/C26H17F4N3O2S/c27-19-7-10-21(11-8-19)33-25-13-6-17(14-18(25)16-31-33)23-12-9-20(15-24(23)26(28,29)30)32-36(34,35)22-4-2-1-3-5-22/h1-16,32H
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 15.8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of fluorescent-labeled Dexamethasone from GR by fluorescent polarization assay


J Med Chem 53: 4531-44 (2010)


Article DOI: 10.1021/jm100447c
BindingDB Entry DOI: 10.7270/Q20003BB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50416071
PNG
(CHEMBL1083783)
Show SMILES Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(NS(=O)(=O)c2ccccc2)cc1C(F)(F)F
Show InChI InChI=1S/C26H17F4N3O2S/c27-19-7-10-21(11-8-19)33-25-13-6-17(14-18(25)16-31-33)23-12-9-20(15-24(23)26(28,29)30)32-36(34,35)22-4-2-1-3-5-22/h1-16,32H
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.58E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at GR in human A549 cells transfected with luciferase gene linked to MMTV promoter assessed as inhibition of dexamethasone-induce...


J Med Chem 53: 4531-44 (2010)


Article DOI: 10.1021/jm100447c
BindingDB Entry DOI: 10.7270/Q20003BB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50416071
PNG
(CHEMBL1083783)
Show SMILES Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(NS(=O)(=O)c2ccccc2)cc1C(F)(F)F
Show InChI InChI=1S/C26H17F4N3O2S/c27-19-7-10-21(11-8-19)33-25-13-6-17(14-18(25)16-31-33)23-12-9-20(15-24(23)26(28,29)30)32-36(34,35)22-4-2-1-3-5-22/h1-16,32H
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at GR in human A549 cells by NF-kappaB transrepression assay


J Med Chem 53: 4531-44 (2010)


Article DOI: 10.1021/jm100447c
BindingDB Entry DOI: 10.7270/Q20003BB
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50416071
PNG
(CHEMBL1083783)
Show SMILES Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(NS(=O)(=O)c2ccccc2)cc1C(F)(F)F
Show InChI InChI=1S/C26H17F4N3O2S/c27-19-7-10-21(11-8-19)33-25-13-6-17(14-18(25)16-31-33)23-12-9-20(15-24(23)26(28,29)30)32-36(34,35)22-4-2-1-3-5-22/h1-16,32H
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to PR


J Med Chem 53: 4531-44 (2010)


Article DOI: 10.1021/jm100447c
BindingDB Entry DOI: 10.7270/Q20003BB
More data for this
Ligand-Target Pair