BDBM394 (3S)-oxan-3-yl N-[(2S,3R)-4-[(4aS,8aS)-3-(tert-butylcarbamoyl)-decahydroisoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate::Urethane deriv. 13

SMILES: [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCCOC1)C(C2)C(=O)NC(C)(C)C

InChI Key: InChIKey=FNTQXASNMYZUHY-YAAGLGSPSA-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 = 394   

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)	BDBM394 ((3S)-oxan-3-yl N-[(2S,3R)-4-[(4aS,8aS)-3-(tert-but...) Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCCOC1)C(C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C30H47N3O5/c1-30(2,3)32-28(35)26-17-22-12-7-8-13-23(22)18-33(26)19-27(34)25(16-21-10-5-4-6-11-21)31-29(36)38-24-14-9-15-37-20-24/h4-6,10-11,22-27,34H,7-9,12-20H2,1-3H3,(H,31,36)(H,32,35)/t22-,23+,24-,25-,26?,27+/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	392	n/a	n/a	n/a	n/a	5.5	30
Merck Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 36: 292-4 (1993) Article DOI: 10.1021/jm00054a015 BindingDB Entry DOI: 10.7270/Q25D8Q1G
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