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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50021586'   
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)		BDBM50021586
PNG
(CHEMBL3290941)
Show SMILES On1c2ncccc2c(NCc2ccc(cc2)-c2ccccc2)nc1=O
Show InChI InChI=1S/C20H16N4O2/c25-20-23-18(17-7-4-12-21-19(17)24(20)26)22-13-14-8-10-16(11-9-14)15-5-2-1-3-6-15/h1-12,26H,13H2,(H,22,23,25)
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

Similars
Article
PubMed
n/an/a 630n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 integrase bound with donor DNA-SPA beads using [3H] target DNA as substrate assessed as strand transfer activity prein...

Eur J Med Chem 83: 609-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.061
BindingDB Entry DOI: 10.7270/Q2MG7R34
More data for this
Ligand-Target Pair