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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chitinase C1' and Ligand = 'BDBM50257245'   
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)		BDBM50257245
PNG
(CHEMBL449892 | 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)N(C)[C@@H](Cc1ccccc1)C(O)=O |r,w:7.7|
Show InChI InChI=1S/C27H40N8O9/c1-15(31-23(40)19(14-21(37)38)32-16(2)36)22(39)33-18(11-8-12-30-26(28)34-27(44)29-3)24(41)35(4)20(25(42)43)13-17-9-6-5-7-10-17/h5-7,9-10,15,18-20H,8,11-14H2,1-4H3,(H,31,40)(H,32,36)(H,33,39)(H,37,38)(H,42,43)(H4,28,29,30,34,44)/t15-,18+,19+,20+/m1/s1
PDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

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