BDBM50402352 CHEMBL2206674

SMILES: COC(=O)[C@H](CC(C)C)N1C[C@@H]2O[C@H]([C@@H](O2)C1=O)C(=O)N1CCCCC1

InChI Key: InChIKey=MNTZQPYJSPFTGX-GBJTYRQASA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50402352   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Candidapepsin-2 (Candida albicans)	BDBM50402352 (CHEMBL2206674) Show SMILES COC(=O)[C@H](CC(C)C)N1C[C@@H]2O[C@H]([C@@H](O2)C1=O)C(=O)N1CCCCC1 |r| Show InChI InChI=1S/C18H28N2O6/c1-11(2)9-12(18(23)24-3)20-10-13-25-14(15(26-13)17(20)22)16(21)19-7-5-4-6-8-19/h11-15H,4-10H2,1-3H3/t12-,13+,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	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
					More data for this Ligand-Target Pair