BDBM742 (2S,4R)-N-tert-butyl-1-[(2R,3S)-3-[2-(2,6-dimethylphenoxy)propanamido]-2-hydroxy-4-phenylbutyl]-4-(pyridin-4-ylmethoxy)piperidine-2-carboxamide::Palinavir deriv. 14

SMILES: CC(Oc1c(C)cccc1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)OCc1ccncc1

InChI Key: InChIKey=CMBBYMMNBCVVGO-VEAZSMFDSA-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 = 742   

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)	BDBM742 ((2S,4R)-N-tert-butyl-1-[(2R,3S)-3-[2-(2,6-dimethyl...) Show SMILES CC(Oc1c(C)cccc1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)OCc1ccncc1 |r,w:1.0| Show InChI InChI=1S/C37H50N4O5/c1-25-11-10-12-26(2)34(25)46-27(3)35(43)39-31(21-28-13-8-7-9-14-28)33(42)23-41-20-17-30(45-24-29-15-18-38-19-16-29)22-32(41)36(44)40-37(4,5)6/h7-16,18-19,27,30-33,42H,17,20-24H2,1-6H3,(H,39,43)(H,40,44)/t27?,30-,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	20	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