BDBM50288817 CHEMBL139444::N-{(1S,2R)-1-Benzyl-2-hydroxy-3-[isobutyl-(4-methoxy-benzenesulfonyl)-amino]-propyl}-4-hydroxy-2-methyl-benzamide

SMILES: COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(O)cc1C

InChI Key: InChIKey=GPZQBDMYLAHRAE-WUFINQPMSA-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 = 50288817   

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)	BDBM50288817 (CHEMBL139444 | N-{(1S,2R)-1-Benzyl-2-hydroxy-3-[is...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(O)cc1C Show InChI InChI=1S/C29H36N2O6S/c1-20(2)18-31(38(35,36)25-13-11-24(37-4)12-14-25)19-28(33)27(17-22-8-6-5-7-9-22)30-29(34)26-15-10-23(32)16-21(26)3/h5-16,20,27-28,32-33H,17-19H2,1-4H3,(H,30,34)/t27-,28+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound was evaluated against recombinant HIV-1 protease using spectrofluorometric assay				Bioorg Med Chem Lett 6: 445-450 (1996) Article DOI: 10.1016/0960-894X(96)00035-2 BindingDB Entry DOI: 10.7270/Q2R78F6Z
					More data for this Ligand-Target Pair