BDBM735 (2S,4R)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-4-phenyl-3-[(2E)-3-phenylprop-2-enamido]butyl]-4-(pyridin-4-ylmethoxy)piperidine-2-carboxamide::Palinavir deriv. 7

SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H](CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccccc1)OCc1ccncc1

InChI Key: InChIKey=YEPGBKOTJWSVML-WJKUSJKMSA-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 = 735   

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)	BDBM735 ((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)\C=C\c1ccccc1)OCc1ccncc1 |r| Show InChI InChI=1S/C35H44N4O4/c1-35(2,3)38-34(42)31-23-29(43-25-28-16-19-36-20-17-28)18-21-39(31)24-32(40)30(22-27-12-8-5-9-13-27)37-33(41)15-14-26-10-6-4-7-11-26/h4-17,19-20,29-32,40H,18,21-25H2,1-3H3,(H,37,41)(H,38,42)/b15-14+/t29-,30+,31+,32-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+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
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