Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endochitinase A1' and Ligand = 'BDBM50388142'   

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
Endochitinase A1 (Neosartorya fumigata (Aspergillus fumigatus))	BDBM50388142 (CHEMBL2058173) Show SMILES Cn1cnc2n(C)c(=O)n(CCCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12 Show InChI InChI=1S/C18H22N8O4/c1-21-9-19-13-11(21)15(27)25(17(29)23(13)3)7-5-6-8-26-16(28)12-14(20-10-22(12)2)24(4)18(26)30/h9-10H,5-8H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aspergillus fumigatus chitinaseA1 using 4-methyumbelliferyl-beta-B-N,N'-triacetylchitotriose as substrate after 10 mins				ACS Med Chem Lett 2: 428-432 (2011) Article DOI: 10.1021/ml200008b BindingDB Entry DOI: 10.7270/Q2RJ4KH7
					More data for this Ligand-Target Pair