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SMILES: CC(C)C(NC(=O)C1CCC(C)CC1)C(=O)NCCCN1CCOCC1

InChI Key: InChIKey=DUKYVKPIHXPZSU-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 42358   
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))		BDBM42358
PNG
(4-methyl-N-[2-methyl-1-(3-morpholinopropylcarbamoy...)
Show SMILES CC(C)C(NC(=O)C1CCC(C)CC1)C(=O)NCCCN1CCOCC1 |(4.41,1.54,;4.41,,;3.08,-.77,;5.75,-.77,;5.75,-2.31,;4.41,-3.08,;3.08,-2.31,;4.41,-4.62,;3.08,-5.39,;3.08,-6.93,;4.41,-7.7,;4.41,-9.24,;5.75,-6.93,;5.75,-5.39,;7.08,,;8.41,-.77,;7.08,1.54,;8.41,2.31,;8.41,3.85,;9.75,4.62,;9.75,6.16,;8.41,6.93,;8.41,8.47,;9.75,9.24,;11.08,8.47,;11.08,6.93,)|
Show InChI InChI=1S/C20H37N3O3/c1-15(2)18(22-19(24)17-7-5-16(3)6-8-17)20(25)21-9-4-10-23-11-13-26-14-12-23/h15-18H,4-14H2,1-3H3,(H,21,25)(H,22,24)
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