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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50176123'   
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
Integrase


(Human immunodeficiency virus 1)
BDBM50176123
PNG
((Z)-1-(5-Chloro-1H-indol-3-yl)-3-hydroxy-3-(1H-[1,...)
Show SMILES Clc1ccc2[nH]cc(C(=O)CC(=O)c3nnc[nH]3)c2c1
Show InChI InChI=1S/C13H9ClN4O2/c14-7-1-2-10-8(3-7)9(5-15-10)11(19)4-12(20)13-16-6-17-18-13/h1-3,5-6,15H,4H2,(H,16,17,18)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Università di Messina

Curated by ChEMBL


Assay Description
Strand transfer inhibitory activity against HIV-1 integrase


J Med Chem 48: 7084-8 (2005)


Article DOI: 10.1021/jm050549e
BindingDB Entry DOI: 10.7270/Q27W6BR1
More data for this
Ligand-Target Pair