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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50069196   
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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50069196
PNG
((4R,5S,6S,7R)-5,6-Dihydroxy-1,3-bis-[3-(1H-pyrazol...)
Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccc(OCc3ccncc3)cc2)N(Cc2cccc(c2)-c2cc[nH]n2)C(=O)N(Cc2cccc(c2)-c2cc[nH]n2)[C@@H]1Cc1ccc(OCc2ccncc2)cc1
Show InChI InChI=1S/C51H48N8O5/c60-49-47(29-35-7-11-43(12-8-35)63-33-37-15-21-52-22-16-37)58(31-39-3-1-5-41(27-39)45-19-25-54-56-45)51(62)59(32-40-4-2-6-42(28-40)46-20-26-55-57-46)48(50(49)61)30-36-9-13-44(14-10-36)64-34-38-17-23-53-24-18-38/h1-28,47-50,60-61H,29-34H2,(H,54,56)(H,55,57)/t47-,48-,49+,50+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.0710n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
HIV protease inhibition.


Bioorg Med Chem Lett 8: 823-8 (1999)


BindingDB Entry DOI: 10.7270/Q2DR2TMP
More data for this
Ligand-Target Pair