BindingDB logo
myBDB logout

null

SMILES: [H][C@@]1(CCOC1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@@]2([H])CCC[C@@]2([H])C[C@@]1([H])C(=O)NC(C)(C)C

InChI Key: InChIKey=GIJVOAULRYJRGU-HLXSIYPQSA-N

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 = 521   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM521
PNG
((3S)-oxolan-3-yl N-[(2S,3R)-4-[(3S,4aS,7aS)-3-(ter...)
Show SMILES [H][C@@]1(CCOC1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@@]2([H])CCC[C@@]2([H])C[C@@]1([H])C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C28H43N3O5/c1-28(2,3)30-26(33)24-15-20-10-7-11-21(20)16-31(24)17-25(32)23(14-19-8-5-4-6-9-19)29-27(34)36-22-12-13-35-18-22/h4-6,8-9,20-25,32H,7,10-18H2,1-3H3,(H,29,34)(H,30,33)/t20-,21+,22-,23-,24-,25+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 61n/an/an/an/a5.530



Merck Research Laboratories



Assay Description
The IC50 values for the compounds were determined using purified HIV-1 Protease. Inhibition of the cleavage of the peptide H-Val-Ser-Gln-Asn-(L-beta-...

J Med Chem 37: 1177-88 (1994)


Article DOI: 10.1021/jm00034a016
BindingDB Entry DOI: 10.7270/Q2NG4NS1
More data for this
Ligand-Target Pair