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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chitinase C1' and Ligand = 'BDBM50257293'   
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 C1


(Serratia marcescens)		BDBM50257293
PNG
(CHEMBL492714 | N-Ac-Asp-D-Ala-Arg{N-omega-(N-methy...)
Show SMILES CNC(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(O)=O |r,w:7.7|
Show InChI InChI=1S/C17H29N7O8/c1-8(21-14(29)11(7-12(26)27)22-9(2)25)13(28)23-10(15(30)31)5-4-6-20-16(18)24-17(32)19-3/h8,10-11H,4-7H2,1-3H3,(H,21,29)(H,22,25)(H,23,28)(H,26,27)(H,30,31)(H4,18,19,20,24,32)/t8-,10+,11+/m1/s1
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PC sid
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Similars
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ChiC

Bioorg Med Chem 17: 2751-8 (2009)


Article DOI: 10.1016/j.bmc.2009.02.047
BindingDB Entry DOI: 10.7270/Q2PR7VVM
More data for this
Ligand-Target Pair