BDBM739 (2,6-dimethylphenyl)methyl N-[(2S,3R)-4-[(2S,4R)-2-(tert-butylcarbamoyl)-4-(pyridin-4-ylmethoxy)piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate::Palinavir deriv. 11

SMILES: Cc1cccc(C)c1COC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)OCc1ccncc1

InChI Key: InChIKey=PCEGWKGFACRWOO-NWAHQLIBSA-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 = 739   

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)	BDBM739 ((2,6-dimethylphenyl)methyl N-[(2S,3R)-4-[(2S,4R)-2...) Show SMILES Cc1cccc(C)c1COC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)OCc1ccncc1 |r| Show InChI InChI=1S/C36H48N4O5/c1-25-10-9-11-26(2)30(25)24-45-35(43)38-31(20-27-12-7-6-8-13-27)33(41)22-40-19-16-29(44-23-28-14-17-37-18-15-28)21-32(40)34(42)39-36(3,4)5/h6-15,17-18,29,31-33,41H,16,19-24H2,1-5H3,(H,38,43)(H,39,42)/t29-,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	420	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