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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 = 'BDBM1274'   
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)
BDBM1274
PNG
(L-682, 679 analog 33 | tert-butyl N-[(2S,3S,5R)-5-...)
Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C32H47N3O6/c1-6-22(2)28(30(39)33-17-18-36)35-29(38)25(19-23-13-9-7-10-14-23)21-27(37)26(20-24-15-11-8-12-16-24)34-31(40)41-32(3,4)5/h7-16,22,25-28,36-37H,6,17-21H2,1-5H3,(H,33,39)(H,34,40)(H,35,38)/t22?,25-,26+,27+,28+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.460n/an/an/an/a5.530



Merck Sharp and Dohme Research Laboratories



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...


J Med Chem 34: 2852-7 (1991)


Article DOI: 10.1021/jm00113a025
BindingDB Entry DOI: 10.7270/Q2M906TJ
More data for this
Ligand-Target Pair