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SMILES: CCOc1ccccc1-n1c(SCC(N)=O)nnc1-c1ccc(O)cc1

InChI Key: InChIKey=NVWVYZVBCXOXMA-UHFFFAOYSA-N

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 = 42268   
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))		BDBM42268
PNG
(2-[4-(2-Ethoxy-phenyl)-5-(4-hydroxy-phenyl)-4H-[1,...)
Show SMILES CCOc1ccccc1-n1c(SCC(N)=O)nnc1-c1ccc(O)cc1 |(6.45,-3.11,;6.45,-1.57,;7.78,-.8,;9.12,-1.57,;9.12,-3.11,;10.45,-3.88,;11.79,-3.11,;11.79,-1.57,;10.45,-.8,;10.45,.74,;9.21,1.64,;7.74,1.17,;6.6,2.2,;5.13,1.72,;3.99,2.75,;4.81,.22,;9.68,3.11,;11.22,3.11,;11.7,1.64,;13.16,1.17,;13.48,-.34,;14.95,-.81,;16.09,.22,;17.56,-.26,;15.77,1.72,;14.31,2.2,)|
Show InChI InChI=1S/C18H18N4O3S/c1-2-25-15-6-4-3-5-14(15)22-17(12-7-9-13(23)10-8-12)20-21-18(22)26-11-16(19)24/h3-10,23H,2,11H2,1H3,(H2,19,24)
PDB
MMDB

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PC cid
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n/an/an/an/a>5.00E+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