BindingDB logo
myBDB logout

BDBM50205809 CHEMBL374535::N-methyl-N-(2-(naphthalen-2-ylmethoxy)-4-nitrophenyl)methanesulfonamide::N-methyl-N-[2-(beta-naphthylmethoxy) 4-nitrophenyl]methanesulfonamide

SMILES: CN(c1ccc(cc1OCc1ccc2ccccc2c1)[N+]([O-])=O)S(C)(=O)=O

InChI Key: InChIKey=BJRZSLQVXYWGEY-UHFFFAOYSA-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 = 50205809   
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
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50205809
PNG
(CHEMBL374535 | N-methyl-N-(2-(naphthalen-2-ylmetho...)
Show SMILES CN(c1ccc(cc1OCc1ccc2ccccc2c1)[N+]([O-])=O)S(C)(=O)=O
Show InChI InChI=1S/C19H18N2O5S/c1-20(27(2,24)25)18-10-9-17(21(22)23)12-19(18)26-13-14-7-8-15-5-3-4-6-16(15)11-14/h3-12H,13H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.68E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of aromatase in human SKBR3 cells by tritiated water release assay


J Med Chem 51: 1126-35 (2008)


Article DOI: 10.1021/jm701107h
BindingDB Entry DOI: 10.7270/Q2FQ9XGR
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50205809
PNG
(CHEMBL374535 | N-methyl-N-(2-(naphthalen-2-ylmetho...)
Show SMILES CN(c1ccc(cc1OCc1ccc2ccccc2c1)[N+]([O-])=O)S(C)(=O)=O
Show InChI InChI=1S/C19H18N2O5S/c1-20(27(2,24)25)18-10-9-17(21(22)23)12-19(18)26-13-14-7-8-15-5-3-4-6-16(15)11-14/h3-12H,13H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.68E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of aromatase in SK-BR-3 cells by tritiated water release assay


J Med Chem 50: 1635-44 (2007)


Article DOI: 10.1021/jm061133j
BindingDB Entry DOI: 10.7270/Q2668CWS
More data for this
Ligand-Target Pair