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BDBM114216 2-[(5-cyano-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]acetic acid methyl ester::MLS000039583::SMR000041572::cid_660801::methyl 2-[(5-cyano-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]acetate::methyl 2-[(5-cyano-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]ethanoate

SMILES: COC(=O)COc1nc(C)c2COC(C)(C)Cc2c1C#N

InChI Key: InChIKey=DHZXKPDJCLOGAU-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 = 114216   
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
Phospholipase C-beta-3


(Homo sapiens (Human))
BDBM114216
PNG
(2-[(5-cyano-3,3,8-trimethyl-1,4-dihydropyrano[3,4-...)
Show SMILES COC(=O)COc1nc(C)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C15H18N2O4/c1-9-12-7-21-15(2,3)5-10(12)11(6-16)14(17-9)20-8-13(18)19-4/h5,7-8H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.23E+5n/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) Center Affiliation: The Scripps Research Institute Ass...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2S46QKQ
More data for this
Ligand-Target Pair
Phospholipase C, gamma 1


(Homo sapiens (Human))
BDBM114216
PNG
(2-[(5-cyano-3,3,8-trimethyl-1,4-dihydropyrano[3,4-...)
Show SMILES COC(=O)COc1nc(C)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C15H18N2O4/c1-9-12-7-21-15(2,3)5-10(12)11(6-16)14(17-9)20-8-13(18)19-4/h5,7-8H2,1-4H3
PDB
MMDB

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.23E+5n/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) Center Affiliation: The Scripps Research Institute Ass...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair