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BDBM39349 MLS000028526::N-methyl-N-(3-methylphenyl)carbamothioic acid O-(2-naphthalenyl) ester::N-methyl-N-(m-tolyl)thiocarbamic acid O-(2-naphthyl) ester::O-naphthalen-2-yl N-methyl-N-(3-methylphenyl)carbamothioate::SMR000058288::TOLNAFTATE::cid_5510

SMILES: CN(C(=S)Oc1ccc2ccccc2c1)c1cccc(C)c1

InChI Key: InChIKey=FUSNMLFNXJSCDI-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 = 39349   
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
Sterol 14α-demethylase (CYP51)


(Homo sapiens (Human))
BDBM39349
PNG
(MLS000028526 | N-methyl-N-(3-methylphenyl)carbamot...)
Show SMILES CN(C(=S)Oc1ccc2ccccc2c1)c1cccc(C)c1
Show InChI InChI=1S/C19H17NOS/c1-14-6-5-9-17(12-14)20(2)19(22)21-18-11-10-15-7-3-4-8-16(15)13-18/h3-13H,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



ACT LLC

Curated by ChEMBL


Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay


Drug Metab Dispos 35: 493-500 (2007)

More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM39349
PNG
(MLS000028526 | N-methyl-N-(3-methylphenyl)carbamot...)
Show SMILES CN(C(=S)Oc1ccc2ccccc2c1)c1cccc(C)c1
Show InChI InChI=1S/C19H17NOS/c1-14-6-5-9-17(12-14)20(2)19(22)21-18-11-10-15-7-3-4-8-16(15)13-18/h3-13H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/a>5.00E+7n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair