BindingDB logo
myBDB logout

BDBM42292 MLS000031848::N-tert-Butyl-2-(5-furan-2-yl-4-furan-2-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide::N-tert-butyl-2-[[4-(2-furfuryl)-5-(2-furyl)-1,2,4-triazol-3-yl]thio]acetamide::N-tert-butyl-2-[[5-(2-furanyl)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]acetamide::N-tert-butyl-2-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide::N-tert-butyl-2-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide::SMR000002849::cid_655446

SMILES: CC(C)(C)NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1

InChI Key: InChIKey=TVPPOVOXHDIISQ-UHFFFAOYSA-N

Data: 1 EC50

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 = 42292   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM42292
PNG
(MLS000031848 | N-tert-Butyl-2-(5-furan-2-yl-4-fura...)
Show SMILES CC(C)(C)NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1
Show InChI InChI=1S/C17H20N4O3S/c1-17(2,3)18-14(22)11-25-16-20-19-15(13-7-5-9-24-13)21(16)10-12-6-4-8-23-12/h4-9H,10-11H2,1-3H3,(H,18,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
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