Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chitinase A' and Ligand = 'BDBM50257244'   

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)	BDBM50257244 (CHEMBL522670 | N-Ac-D-Ala-Arg{N-omega-(N-methylcar...) Show SMILES CNC(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H](C)NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(O)=O |r,w:7.7| Show InChI InChI=1S/C23H35N7O6/c1-14(27-15(2)31)19(32)28-17(11-8-12-26-22(24)29-23(36)25-3)20(33)30(4)18(21(34)35)13-16-9-6-5-7-10-16/h5-7,9-10,14,17-18H,8,11-13H2,1-4H3,(H,27,31)(H,28,32)(H,34,35)(H4,24,25,26,29,36)/t14-,17+,18+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	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
					More data for this Ligand-Target Pair