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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acidic mammalian chitinase' and Ligand = 'BDBM50453521'   
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
Acidic mammalian chitinase


(Mus musculus)		BDBM50453521
PNG
(CHEMBL4204446)
Show SMILES C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CN1Cc1ccc(Cl)cc1)C1CCN(CC1)c1n[nH]c(N)n1 |r|
Show InChI InChI=1S/C26H33Cl2N7/c1-18-15-35(23-10-12-33(13-11-23)26-30-25(29)31-32-26)24(14-19-2-6-21(27)7-3-19)17-34(18)16-20-4-8-22(28)9-5-20/h2-9,18,23-24H,10-17H2,1H3,(H3,29,30,31,32)/t18-,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse AMCase using 4-methylumbelliferyl beta-D-N,N' diacetylchitobioside hydrate as substrate measured after 60 mins by fluorometric me...

Citation and Details

Article DOI: 10.1016/j.bmcl.2017.12.047
BindingDB Entry DOI: 10.7270/Q2ZK5K77
More data for this
Ligand-Target Pair