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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-hexosaminidase subunit beta (Hex B)' and Ligand = 'BDBM304400'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-hexosaminidase subunit beta (Hex B)


(Homo sapiens (Human))
BDBM304400
PNG
(US10143668, Compound 1d)
Show SMILES CCCCCCCCCCCCCC[N+](C)(C)CC(=O)N(C)CC(O)CO
Show InChI InChI=1S/C22H47N2O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-24(3,4)19-22(27)23(2)18-21(26)20-25/h21,25-26H,5-20H2,1-4H3/q+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.10E+3n/an/an/an/an/an/a



GRI BIO, INC.

US Patent


Assay Description
Buffers and solutions: Phosphate buffered saline (PBS) and 1 M HEPES were provided by the in-house service facility. Tyrode's buffer (TyB) consis...


US Patent US10143668 (2018)

More data for this
Ligand-Target Pair