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3 similar compounds to monomer 50089686

Compile data set for download or QSAR
Wt: 252.2
BDBM50089675
Wt: 282.2
BDBM50089680
Wt: 228.2
BDBM50089682

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50089675,50089680,50089682   
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
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

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PC cid
PC sid
UniChem

Similars

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)


Article DOI: 10.1021/jm5017895
BindingDB Entry DOI: 10.7270/Q28054CK
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit alpha (HexA)


(Homo sapiens (Human))
BDBM50089682
PNG
(CHEMBL3577323)
Show SMILES CCc1nc(N)nc(N)c1-c1ccccc1C
Show InChI InChI=1S/C13H16N4/c1-3-10-11(12(14)17-13(15)16-10)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H4,14,15,16,17)
PDB
MMDB

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PC sid
UniChem

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Article
PubMed
n/an/a 4.30E+4n/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)


Article DOI: 10.1021/jm5017895
BindingDB Entry DOI: 10.7270/Q28054CK
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit alpha (HexA)


(Homo sapiens (Human))
BDBM50089680
PNG
(CHEMBL3577321)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C13H13F3N4/c1-2-9-10(11(17)20-12(18)19-9)7-3-5-8(6-4-7)13(14,15)16/h3-6H,2H2,1H3,(H4,17,18,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+4n/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)


Article DOI: 10.1021/jm5017895
BindingDB Entry DOI: 10.7270/Q28054CK
More data for this
Ligand-Target Pair