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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50045082'   
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)		BDBM50045082
PNG
(CHEMBL3310084)
Show SMILES CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NOC)c1=O
Show InChI InChI=1S/C20H19FN4O5/c1-22-19(28)16-18(27)17-14(25(20(16)29)10-15(26)24-30-2)8-12(9-23-17)7-11-3-5-13(21)6-4-11/h3-6,8-9,27H,7,10H2,1-2H3,(H,22,28)(H,24,26)
PDB

UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.70n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay

Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair