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BDBM42574 3,5-dimethyl-4-[(4-methylphenyl)sulfonyl-phenyl-methyl]-1,2-oxazole::3,5-dimethyl-4-[(4-methylphenyl)sulfonyl-phenylmethyl]-1,2-oxazole::3,5-dimethyl-4-[(4-methylphenyl)sulfonyl-phenylmethyl]isoxazole::3,5-dimethyl-4-[[(4-methylphenyl)sulfonyl](phenyl)methyl]isoxazole::3,5-dimethyl-4-[phenyl(tosyl)methyl]isoxazole::MLS000698406::SMR000228471::cid_4460128

SMILES: Cc1noc(C)c1C(c1ccccc1)S(=O)(=O)c1ccc(C)cc1

InChI Key: InChIKey=ZEKHPEYYOIKDQJ-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 = 42574   
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
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM42574
PNG
(3,5-dimethyl-4-[(4-methylphenyl)sulfonyl-phenyl-me...)
Show SMILES Cc1noc(C)c1C(c1ccccc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C19H19NO3S/c1-13-9-11-17(12-10-13)24(21,22)19(16-7-5-4-6-8-16)18-14(2)20-23-15(18)3/h4-12,19H,1-3H3
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>3.50E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM42574
PNG
(3,5-dimethyl-4-[(4-methylphenyl)sulfonyl-phenyl-me...)
Show SMILES Cc1noc(C)c1C(c1ccccc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C19H19NO3S/c1-13-9-11-17(12-10-13)24(21,22)19(16-7-5-4-6-8-16)18-14(2)20-23-15(18)3/h4-12,19H,1-3H3
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PC sid
UniChem
Article
PubMed
n/an/a 4.40E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide Y receptor Y2


Bioorg Med Chem Lett 22: 3916-20 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.107
BindingDB Entry DOI: 10.7270/Q2WH2R15
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM42574
PNG
(3,5-dimethyl-4-[(4-methylphenyl)sulfonyl-phenyl-me...)
Show SMILES Cc1noc(C)c1C(c1ccccc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C19H19NO3S/c1-13-9-11-17(12-10-13)24(21,22)19(16-7-5-4-6-8-16)18-14(2)20-23-15(18)3/h4-12,19H,1-3H3
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.40E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at NPYY2 receptor (unknown origin) by cAMP biosensor assay


Bioorg Med Chem Lett 24: 430-41 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.061
BindingDB Entry DOI: 10.7270/Q2H133HQ
More data for this
Ligand-Target Pair