Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Candidapepsin-2' and Ligand = 'BDBM50402354'   

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
Candidapepsin-2 (Candida albicans)	BDBM50402354 (CHEMBL2206672) Show SMILES CC(C)C[C@H](CO)NC(=O)C1O[C@H]2CN(Cc3ccccc3)C(=O)[C@@H]1O2 |r| Show InChI InChI=1S/C19H26N2O5/c1-12(2)8-14(11-22)20-18(23)16-17-19(24)21(10-15(25-16)26-17)9-13-6-4-3-5-7-13/h3-7,12,14-17,22H,8-11H2,1-2H3,(H,20,23)/t14-,15-,16?,17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of candida albicans SAP2 using 0.05% BSA as substrate by spectrophotometric analysis				Bioorg Med Chem 20: 7206-13 (2012) Article DOI: 10.1016/j.bmc.2012.09.031 BindingDB Entry DOI: 10.7270/Q2BP03ZD
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