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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chitinase C1' and Ligand = 'BDBM50257240'   
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)		BDBM50257240
PNG
(CHEMBL450552 | N-Ac-Arg{N-omega-(N-methylcarbanoyl...)
Show SMILES CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)OCC=C)C(O)=O |r,w:7.7|
Show InChI InChI=1S/C27H39N7O8/c1-5-14-42-22(36)16-20(25(39)40)32-23(37)21(15-18-10-7-6-8-11-18)34(4)24(38)19(31-17(2)35)12-9-13-30-26(28)33-27(41)29-3/h5-8,10-11,19-21H,1,9,12-16H2,2-4H3,(H,31,35)(H,32,37)(H,39,40)(H4,28,29,30,33,41)/t19-,20-,21-/m0/s1
PDB

UniProtKB/TrEMBL

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CHEMBL
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