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SMILES: Cc1ccc2N[C@@H]([C@@H]3CCO[C@@H]3c2c1)c1ccncc1

InChI Key: InChIKey=YZFLWQYXBOQANK-XKQJLSEDSA-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 = 42402   
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))		BDBM42402
PNG
((3aS,4S,9bS)-8-methyl-4-(4-pyridyl)-2,3,3a,4,5,9b-...)
Show SMILES Cc1ccc2N[C@@H]([C@@H]3CCO[C@@H]3c2c1)c1ccncc1
Show InChI InChI=1S/C17H18N2O/c1-11-2-3-15-14(10-11)17-13(6-9-20-17)16(19-15)12-4-7-18-8-5-12/h2-5,7-8,10,13,16-17,19H,6,9H2,1H3/t13-,16+,17-/m0/s1
PDB
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