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BDBM46959 6-ethoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonyl-quinoline::6-ethoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonylquinoline::6-ethoxy-2,2,4-trimethyl-1-tosyl-quinoline::MLS000716245::SMR000277762::cid_1069778

SMILES: CCOc1ccc2N(C(C)(C)C=C(C)c2c1)S(=O)(=O)c1ccc(C)cc1

InChI Key: InChIKey=PAWMDFURAZONCN-UHFFFAOYSA-N

Data: 2 EC50

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 = 46959   
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
transient receptor potential cation channel, subfamily N, member 1


(Danio rerio)
BDBM46959
PNG
(6-ethoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfony...)
Show SMILES CCOc1ccc2N(C(C)(C)C=C(C)c2c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C21H25NO3S/c1-6-25-17-9-12-20-19(13-17)16(3)14-21(4,5)22(20)26(23,24)18-10-7-15(2)8-11-18/h7-14H,6H2,1-5H3
KEGG

UniProtKB/TrEMBL

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.99E+4n/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2Z60MG3
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
BDBM46959
PNG
(6-ethoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfony...)
Show SMILES CCOc1ccc2N(C(C)(C)C=C(C)c2c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C21H25NO3S/c1-6-25-17-9-12-20-19(13-17)16(3)14-21(4,5)22(20)26(23,24)18-10-7-15(2)8-11-18/h7-14H,6H2,1-5H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>2.99E+4n/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair