BDBM50114971 CHEMBL294938::[(3R,5R,6R)-4-Benzyloxy-5-hydroxy-6-methoxy-3-(4-methoxy-phenoxy)-tetrahydro-pyran-2-ylmethyl]-carbamic acid benzyl ester

SMILES: CO[C@@H]1OC(CNC(=O)OCc2ccccc2)[C@@H](Oc2ccc(OC)cc2)C(OCc2ccccc2)[C@H]1O

InChI Key: InChIKey=SEZKFRGJTUMBFE-DUYICPQYSA-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 = 50114971   

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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50114971 (CHEMBL294938 | [(3R,5R,6R)-4-Benzyloxy-5-hydroxy-6...) Show SMILES CO[C@@H]1OC(CNC(=O)OCc2ccccc2)[C@@H](Oc2ccc(OC)cc2)C(OCc2ccccc2)[C@H]1O Show InChI InChI=1S/C29H33NO8/c1-33-22-13-15-23(16-14-22)37-26-24(17-30-29(32)36-19-21-11-7-4-8-12-21)38-28(34-2)25(31)27(26)35-18-20-9-5-3-6-10-20/h3-16,24-28,31H,17-19H2,1-2H3,(H,30,32)/t24?,25-,26-,27?,28-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.48E+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