BDBM734 (2S,4R)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-4-phenyl-3-(4-phenylbutanamido)butyl]-4-(pyridin-4-ylmethoxy)piperidine-2-carboxamide::Palinavir deriv. 6

SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H](CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCCc1ccccc1)OCc1ccncc1

InChI Key: InChIKey=FXGXHPLBTOAXAD-JDIHBLRXSA-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 = 734   

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
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM734 ((2S,4R)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-4-phenyl...) Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H](CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCCc1ccccc1)OCc1ccncc1 |r| Show InChI InChI=1S/C36H48N4O4/c1-36(2,3)39-35(43)32-24-30(44-26-29-17-20-37-21-18-29)19-22-40(32)25-33(41)31(23-28-13-8-5-9-14-28)38-34(42)16-10-15-27-11-6-4-7-12-27/h4-9,11-14,17-18,20-21,30-33,41H,10,15-16,19,22-26H2,1-3H3,(H,38,42)(H,39,43)/t30-,31+,32+,33-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	5.5	37
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...				J Med Chem 43: 1094-108 (2000) Article DOI: 10.1021/jm990336n BindingDB Entry DOI: 10.7270/Q2BZ647F
					More data for this Ligand-Target Pair