BDBM50114965 CHEMBL52487::N-((3S,5R,6S)-3,4,5-Trihydroxy-6-phenoxy-tetrahydro-pyran-2-ylmethyl)-acetamide

SMILES: CC(=O)NCC1O[C@@H](Oc2ccccc2)[C@@H](O)C(O)[C@@H]1O

InChI Key: InChIKey=CANLSXYVMPZTCH-LNNYQDNLSA-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 = 50114965   

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
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50114965 (CHEMBL52487 | N-((3S,5R,6S)-3,4,5-Trihydroxy-6-phe...) Show SMILES CC(=O)NCC1O[C@@H](Oc2ccccc2)[C@@H](O)C(O)[C@@H]1O Show InChI InChI=1S/C14H19NO6/c1-8(16)15-7-10-11(17)12(18)13(19)14(21-10)20-9-5-3-2-4-6-9/h2-6,10-14,17-19H,7H2,1H3,(H,15,16)/t10?,11-,12?,13+,14-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
University College Dublin Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 12: 1763-6 (2002) BindingDB Entry DOI: 10.7270/Q22R3S65
					More data for this Ligand-Target Pair