Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chitinase A' and Ligand = 'BDBM50257246'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Chitinase A (Serratia marcescens)	BDBM50257246 (CHEMBL443088 | N-Ac-Arg{N-omega-(N-methylcarbanoyl...) Show SMILES CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(O)=O |r,w:7.7| Show InChI InChI=1S/C10H19N5O4/c1-6(16)14-7(8(17)18)4-3-5-13-9(11)15-10(19)12-2/h7H,3-5H2,1-2H3,(H,14,16)(H,17,18)(H4,11,12,13,15,19)/t7-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ChiA				Bioorg Med Chem 17: 2751-8 (2009) Article DOI: 10.1016/j.bmc.2009.02.047 BindingDB Entry DOI: 10.7270/Q2PR7VVM
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