BindingDB logo
myBDB logout

BDBM50073328 (1S,2R,3S,4R,8R,9R)-4,5-Dibenzyl-9-benzyloxy-2,3-dihydroxy-5,7-diaza-tricyclo[6.2.2.0*1,7*]dodecan-6-one::CHEMBL120800

SMILES: O[C@@H]1[C@H](O)[C@]23CC[C@H]([C@@H](C2)OCc2ccccc2)N3C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccccc1

InChI Key: InChIKey=BIHUCLWSIWMAEN-BNORLHEKSA-N

Data: 1 KI

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 = 50073328   
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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50073328
PNG
((1S,2R,3S,4R,8R,9R)-4,5-Dibenzyl-9-benzyloxy-2,3-d...)
Show SMILES O[C@@H]1[C@H](O)[C@]23CC[C@H]([C@@H](C2)OCc2ccccc2)N3C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C31H34N2O4/c34-28-26(18-22-10-4-1-5-11-22)32(20-23-12-6-2-7-13-23)30(36)33-25-16-17-31(33,29(28)35)19-27(25)37-21-24-14-8-3-9-15-24/h1-15,25-29,34-35H,16-21H2/t25-,26-,27-,28+,29+,31+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 750n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of HIV-1 protease by assaying the cleavage of a fluorescent peptide using HPLC

Bioorg Med Chem Lett 8: 3615-20 (1999)


BindingDB Entry DOI: 10.7270/Q2VX0FP1
More data for this
Ligand-Target Pair