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BDBM50017357 CHEMBL3288264

SMILES: CCCCCCNC(=O)c1c(O)n(O)c(=O)c2cc(ccc12)[N+]([O-])=O

InChI Key: InChIKey=PUEIRXVBUZGXFU-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50017357   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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)
BDBM50017357
PNG
(CHEMBL3288264)
Show SMILES CCCCCCNC(=O)c1c(O)n(O)c(=O)c2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C16H19N3O6/c1-2-3-4-5-8-17-14(20)13-11-7-6-10(19(24)25)9-12(11)15(21)18(23)16(13)22/h6-7,9,22-23H,2-5,8H2,1H3,(H,17,20)
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