BDBM733 (2S,4R)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-4-phenyl-3-[2-(phenylsulfanyl)acetamido]butyl]-4-(pyridin-4-ylmethoxy)piperidine-2-carboxamide::Palinavir deriv. 5

SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H](CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CSc1ccccc1)OCc1ccncc1

InChI Key: InChIKey=PGASSTKSMMTYHX-CFNXAKABSA-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 = 733   

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)	BDBM733 ((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)CSc1ccccc1)OCc1ccncc1 |r| Show InChI InChI=1S/C34H44N4O4S/c1-34(2,3)37-33(41)30-21-27(42-23-26-14-17-35-18-15-26)16-19-38(30)22-31(39)29(20-25-10-6-4-7-11-25)36-32(40)24-43-28-12-8-5-9-13-28/h4-15,17-18,27,29-31,39H,16,19-24H2,1-3H3,(H,36,40)(H,37,41)/t27-,29+,30+,31-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	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