Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endoglucanase-5' and Ligand = 'BDBM50346886'   

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
Endoglucanase-5 (Humicola insolens)	BDBM50346886 (CHEMBL1797813) Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](S[C@@H]2C=C(CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r,t:10| Show InChI InChI=1S/C20H34O14S/c1-31-19-16(30)14(28)18(8(5-23)33-19)35-9-2-6(3-21)17(13(27)11(9)25)34-20-15(29)12(26)10(24)7(4-22)32-20/h2,7-30H,3-5H2,1H3/t7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.90E+7	n/a	n/a	n/a	n/a	n/a	n/a	3.0	n/a
Hirosaki University Curated by ChEMBL					Assay Description Binding affinity to Humicola insolens NCE5 assessed as dissociation constant at pH 3.0 and at 59 degC by differential scanning calorimetry				Bioorg Med Chem 19: 3812-30 (2011) Article DOI: 10.1016/j.bmc.2011.04.048 BindingDB Entry DOI: 10.7270/Q2057G8C
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