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BDBM43334 3,4-dimethoxy-N-(2-oxidanylnaphthalen-1-yl)benzenesulfonamide::N-(2-hydroxy-1-naphthalenyl)-3,4-dimethoxybenzenesulfonamide::N-(2-hydroxy-1-naphthyl)-3,4-dimethoxy-benzenesulfonamide::N-(2-hydroxynaphthalen-1-yl)-3,4-dimethoxybenzenesulfonamide::PC-0626780::PCMD-CC-PAB-246::cid_16738609

SMILES: COc1ccc(cc1OC)S(=O)(=O)Nc1c(O)ccc2ccccc12

InChI Key: InChIKey=URVWFIZXKWZNQS-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 43334   
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
RNA polymerase beta subunit (EC 2.7.7.6)


(Escherichia coli)
BDBM43334
PNG
(3,4-dimethoxy-N-(2-oxidanylnaphthalen-1-yl)benzene...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1c(O)ccc2ccccc12
Show InChI InChI=1S/C18H17NO5S/c1-23-16-10-8-13(11-17(16)24-2)25(21,22)19-18-14-6-4-3-5-12(14)7-9-15(18)20/h3-11,19-20H,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.79E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q25B00VT
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM43334
PNG
(3,4-dimethoxy-N-(2-oxidanylnaphthalen-1-yl)benzene...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1c(O)ccc2ccccc12
Show InChI InChI=1S/C18H17NO5S/c1-23-16-10-8-13(11-17(16)24-2)25(21,22)19-18-14-6-4-3-5-12(14)7-9-15(18)20/h3-11,19-20H,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.66E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2WW7G4W
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM43334
PNG
(3,4-dimethoxy-N-(2-oxidanylnaphthalen-1-yl)benzene...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1c(O)ccc2ccccc12
Show InChI InChI=1S/C18H17NO5S/c1-23-16-10-8-13(11-17(16)24-2)25(21,22)19-18-14-6-4-3-5-12(14)7-9-15(18)20/h3-11,19-20H,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.15E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2S75DTS
More data for this
Ligand-Target Pair