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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Human immunodeficiency virus type 1 integrase' and Ligand = 'BDBM50017356'   
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
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50017356
PNG
(CHEMBL3288263)
Show SMILES ON1C(=O)C(C(=O)NCc2ccc(F)cc2)c2ccc(NC(=O)Cc3cccs3)cc2C1=O
Show InChI InChI=1S/C23H18FN3O5S/c24-14-5-3-13(4-6-14)12-25-21(29)20-17-8-7-15(10-18(17)22(30)27(32)23(20)31)26-19(28)11-16-2-1-9-33-16/h1-10,20,32H,11-12H2,(H,25,29)(H,26,28)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA


J Med Chem 57: 4640-60 (2014)


Article DOI: 10.1021/jm500109z
BindingDB Entry DOI: 10.7270/Q2TQ6335
More data for this
Ligand-Target Pair