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BDBM42321 4-hydroxy-2-keto-3-(3-methoxyphenyl)-N-piperonyl-1H-quinazoline-4-carboxamide::MLS000044406::N-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxyphenyl)-4-oxidanyl-2-oxidanylidene-1H-quinazoline-4-carboxamide::N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide::N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide::SMR000022183::cid_3237045

SMILES: COc1cccc(c1)N1C(=O)Nc2ccccc2C1(O)C(=O)NCc1ccc2OCOc2c1

InChI Key: InChIKey=JATGXQNRXIMVFM-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 42321   
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
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM42321
PNG
(4-hydroxy-2-keto-3-(3-methoxyphenyl)-N-piperonyl-1...)
Show SMILES COc1cccc(c1)N1C(=O)Nc2ccccc2C1(O)C(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C24H21N3O6/c1-31-17-6-4-5-16(12-17)27-23(29)26-19-8-3-2-7-18(19)24(27,30)22(28)25-13-15-9-10-20-21(11-15)33-14-32-20/h2-12,30H,13-14H2,1H3,(H,25,28)(H,26,29)
PDB
MMDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>1.00E+4n/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 Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair