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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'HIV-1 Protease' and Ligand = 'BDBM1048'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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)
BDBM1048
PNG
(Hydroxyethylene dipeptide isostere 40 | tert-butyl...)
Show SMILES [H][C@@]1(NC(=O)[C@@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccc(CCO)cc2)[C@H](O)Cc2ccccc12 |r|
Show InChI InChI=1S/C35H44N2O6/c1-35(2,3)43-34(42)36-29(20-24-9-5-4-6-10-24)30(39)22-27(19-25-15-13-23(14-16-25)17-18-38)33(41)37-32-28-12-8-7-11-26(28)21-31(32)40/h4-16,27,29-32,38-40H,17-22H2,1-3H3,(H,36,42)(H,37,41)/t27-,29+,30+,31-,32+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.160n/an/an/an/a5.530



Merck Research Laboratories



Assay Description
Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...


J Med Chem 35: 1702-9 (1992)


Article DOI: 10.1021/jm050756e
BindingDB Entry DOI: 10.7270/Q2N877ZC
More data for this
Ligand-Target Pair