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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chitinase B' and Ligand = 'BDBM50089849'   
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
Chitinase B


(Serratia marcescens)		BDBM50089849
PNG
(CHEMBL3577618)
Show SMILES [H][C@@]12OC(C)(C)O[C@]([H])([C@H]1C)C(C)(C)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](OCC#C)[C@](C)(O)C[C@H]2C |r,@@:11|
Show InChI InChI=1S/C28H48O7/c1-12-14-32-24-17(4)21(29)18(5)25(30)33-20(13-2)26(7,8)23-19(6)22(34-27(9,10)35-23)16(3)15-28(24,11)31/h1,16-24,29,31H,13-15H2,2-11H3/t16-,17+,18-,19+,20-,21+,22+,23-,24-,28-/m1/s1
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens chitinase ChiB assessed as reduction in chitinolytic activity using 4MU-(GlcNAc)2 substrate by fluorescence based a...

J Med Chem 58: 4984-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00175
BindingDB Entry DOI: 10.7270/Q2VT1TV5
More data for this
Ligand-Target Pair