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BDBM50089675 CHEMBL3577316

InChI string: InChI=1S/C13H11F3N2/c1-2-12-11(7-17-8-18-12)9-3-5-10(6-4-9)13(14,15)16/h3-8H,2H2,1H3

SMILES: CCc1ncncc1-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=PBOHCVUOFXWNAX-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50089675   
Target
(Institution)
LigandTarget
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
Beta-hexosaminidase subunit alpha (HexA)


(Homo sapiens (Human))
BDBM50089675
PNG
(CHEMBL3577316)
Show SMILES CCc1ncncc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C13H11F3N2/c1-2-12-11(7-17-8-18-12)9-3-5-10(6-4-9)13(14,15)16/h3-8H,2H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>9.40E+5n/an/an/an/an/an/a



Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada.

Curated by ChEMBL


Assay Description
Inhibition of human placental HexA using pNPGlcNAc substrate


J Med Chem 58: 4483-93 (2015)

More data for this
Ligand-Target Pair