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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Chitotriosidase-1' and Ligand = 'BDBM349958'   
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
Chitotriosidase-1


(Homo sapiens (Human))
BDBM349958
PNG
((5S)-1-(1-(5-amino-4H-1,2,4-triazol-3-yl)piperidin...)
Show SMILES CC1(O)C[C@H](Cc2ccc(Cl)cc2)N(C1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



OncoArendi Therapeutics S.A.

US Patent


Assay Description
An enzymatic assay with recombinant human CHIT1 was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). Th...


US Patent US10208020 (2019)


BindingDB Entry DOI: 10.7270/Q2RR21C4
More data for this
Ligand-Target Pair
Chitotriosidase-1


(Homo sapiens (Human))
BDBM349958
PNG
((5S)-1-(1-(5-amino-4H-1,2,4-triazol-3-yl)piperidin...)
Show SMILES CC1(O)C[C@H](Cc2ccc(Cl)cc2)N(C1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



OncoArendi Therapeutics S.A.

US Patent


Assay Description
An enzymatic assay with recombinant human CHIT1 was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). Th...


US Patent US10538508 (2020)


BindingDB Entry DOI: 10.7270/Q2W37ZQC
More data for this
Ligand-Target Pair
Chitotriosidase-1


(Homo sapiens (Human))
BDBM349958
PNG
((5S)-1-(1-(5-amino-4H-1,2,4-triazol-3-yl)piperidin...)
Show SMILES CC1(O)C[C@H](Cc2ccc(Cl)cc2)N(C1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
An enzymatic assay with recombinant human CHIT1 was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). Th...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q22N54MD
More data for this
Ligand-Target Pair