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BDBM387 (3R)-oxan-3-yl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-1-phenylpentan-2-yl]carbamate::Urethane deriv. 6

SMILES: O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCCOC1

InChI Key: InChIKey=WHEAOWNCXPCPCE-LOOYLFGLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 387   
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
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM387
PNG
((3R)-oxan-3-yl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-5-...)
Show SMILES O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCCOC1 |r|
Show InChI InChI=1S/C34H40N2O6/c37-30(29(19-24-12-5-2-6-13-24)35-34(40)42-27-15-9-17-41-22-27)21-26(18-23-10-3-1-4-11-23)33(39)36-32-28-16-8-7-14-25(28)20-31(32)38/h1-8,10-14,16,26-27,29-32,37-38H,9,15,17-22H2,(H,35,40)(H,36,39)/t26-,27-,29+,30+,31-,32+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<0.0300n/an/an/an/a5.530



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: 10.1016/j.bmcl.2005.01.052
More data for this
Ligand-Target Pair