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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 = 'BDBM9663'   
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)
BDBM9663
PNG
(2-(2-hydroxy-4-{2-[(2-hydroxyethyl)(2-phenylpropan...)
Show SMILES Cc1ccc(CC(O)CCc2ccccc2C(=O)N(CCO)C(C)(C)c2ccccc2)c(c1)C(=O)N(CCO)C(C)(C)c1ccccc1
Show InChI InChI=1S/C41H50N2O5/c1-30-20-21-32(37(28-30)39(48)43(25-27-45)41(4,5)34-17-10-7-11-18-34)29-35(46)23-22-31-14-12-13-19-36(31)38(47)42(24-26-44)40(2,3)33-15-8-6-9-16-33/h6-21,28,35,44-46H,22-27,29H2,1-5H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
18n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...


J Med Chem 39: 2795-811 (1996)


Article DOI: 10.1021/jm960092w
BindingDB Entry DOI: 10.7270/Q2028PRG
More data for this
Ligand-Target Pair