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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 = 'BDBM1246'   
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)
BDBM1246
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 18 | benzyl N-...)
Show SMILES CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)O)C(C)(C)C
Show InChI InChI=1S/C35H52N4O7/c1-7-26(8-2)37-30(42)20-27(35(4,5)6)32(43)36-21-29(41)28(19-24-15-11-9-12-16-24)38-33(44)31(23(3)40)39-34(45)46-22-25-17-13-10-14-18-25/h9-18,23,26-29,31,40-41H,7-8,19-22H2,1-6H3,(H,36,43)(H,37,42)(H,38,44)(H,39,45)/t23?,27-,28-,29+,31-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.20n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



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 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair