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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 = 'BDBM739'   
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)
BDBM739
PNG
((2,6-dimethylphenyl)methyl N-[(2S,3R)-4-[(2S,4R)-2...)
Show SMILES Cc1cccc(C)c1COC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)OCc1ccncc1 |r|
Show InChI InChI=1S/C36H48N4O5/c1-25-10-9-11-26(2)30(25)24-45-35(43)38-31(20-27-12-7-6-8-13-27)33(41)22-40-19-16-29(44-23-28-14-17-37-18-15-28)21-32(40)34(42)39-36(3,4)5/h6-15,17-18,29,31-33,41H,16,19-24H2,1-5H3,(H,38,43)(H,39,42)/t29-,31+,32+,33-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 420n/an/an/an/a5.537



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)


BindingDB Entry DOI: 10.7270/Q2BZ647F
More data for this
Ligand-Target Pair