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BDBM42363 4-(3-benzyl-4-keto-2-thioxo-1H-quinazoline-7-carbonyl)piperazine-1-carboxylic acid ethyl ester::4-[oxo-[4-oxo-3-(phenylmethyl)-2-sulfanylidene-1H-quinazolin-7-yl]methyl]-1-piperazinecarboxylic acid ethyl ester::MLS000044077::SMR000021488::cid_3243888::ethyl 4-(3-benzyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl)piperazine-1-carboxylate::ethyl 4-[(3-benzyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazolin-7-yl)carbonyl]piperazine-1-carboxylate::ethyl 4-[[4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]piperazine-1-carboxylate

SMILES: CCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccccc1)c2=O

InChI Key: InChIKey=HYBXAFNJZDBIEH-UHFFFAOYSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 42363   
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))
BDBM42363
PNG
(4-(3-benzyl-4-keto-2-thioxo-1H-quinazoline-7-carbo...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccccc1)c2=O
Show InChI InChI=1S/C23H24N4O4S/c1-2-31-23(30)26-12-10-25(11-13-26)20(28)17-8-9-18-19(14-17)24-22(32)27(21(18)29)15-16-6-4-3-5-7-16/h3-9,14H,2,10-13,15H2,1H3,(H,24,32)
PDB
MMDB

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PC cid
PC sid
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Similars

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