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BDBM50394492 CHEMBL1765471

SMILES: OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nc(CCc3ccc(cc3)-c3ccccc3)cn12

InChI Key: InChIKey=XDPKQPFTXHEYSP-MXEMCNAFSA-N

Data: 2 KI

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 2 hits for monomerid = 50394492   
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
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM50394492
PNG
(CHEMBL1765471)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nc(CCc3ccc(cc3)-c3ccccc3)cn12 |r|
Show InChI InChI=1S/C22H24N2O4/c25-13-18-19(26)20(27)21(28)22-23-17(12-24(18)22)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-7,9-10,12,18-21,25-28H,8,11,13H2/t18-,19-,20+,21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.90E+3n/an/an/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Competitive inhibition of human OGA using 4-MU-GlcNAc as substrate after 10 mins by Lineweaver Burk plot analysis


Bioorg Med Chem Lett 22: 6854-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.042
BindingDB Entry DOI: 10.7270/Q2KP838N
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit alpha (HexA)


(Homo sapiens (Human))
BDBM50394492
PNG
(CHEMBL1765471)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nc(CCc3ccc(cc3)-c3ccccc3)cn12 |r|
Show InChI InChI=1S/C22H24N2O4/c25-13-18-19(26)20(27)21(28)22-23-17(12-24(18)22)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-7,9-10,12,18-21,25-28H,8,11,13H2/t18-,19-,20+,21-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.63E+5n/an/an/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibition of human Hex A using 4-MU-GlcNAc as substrate after 10 mins by Lineweaver Burk plot analysis


Bioorg Med Chem Lett 22: 6854-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.042
BindingDB Entry DOI: 10.7270/Q2KP838N
More data for this
Ligand-Target Pair