BDBM737 (2S,4R)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-3-[3-(2-methylphenyl)propanamido]-4-phenylbutyl]-4-(pyridin-4-ylmethoxy)piperidine-2-carboxamide::Palinavir deriv. 9

SMILES: Cc1ccccc1CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)OCc1ccncc1

InChI Key: InChIKey=NHVDOABLJWTEDN-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 = 737   

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)	BDBM737 ((2S,4R)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-3-[3-(2-...) Show SMILES Cc1ccccc1CCC(=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/C36H48N4O4/c1-26-10-8-9-13-29(26)14-15-34(42)38-31(22-27-11-6-5-7-12-27)33(41)24-40-21-18-30(44-25-28-16-19-37-20-17-28)23-32(40)35(43)39-36(2,3)4/h5-13,16-17,19-20,30-33,41H,14-15,18,21-25H2,1-4H3,(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	2.50E+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
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