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SMILES: CC(C)CCn1nnnc1C(N1CCC(CC1)C(N)=O)c1ccccc1

InChI Key: InChIKey=GNLIJWXOLAWIKS-UHFFFAOYSA-N

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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 = 42276   
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))		BDBM42276
PNG
(1-[(1-isoamyltetrazol-5-yl)-phenyl-methyl]isonipec...)
Show SMILES CC(C)CCn1nnnc1C(N1CCC(CC1)C(N)=O)c1ccccc1
Show InChI InChI=1S/C19H28N6O/c1-14(2)8-13-25-19(21-22-23-25)17(15-6-4-3-5-7-15)24-11-9-16(10-12-24)18(20)26/h3-7,14,16-17H,8-13H2,1-2H3,(H2,20,26)
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MMDB

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PC cid
PC sid
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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