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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50045101'   
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)		BDBM50045101
PNG
(CHEMBL3310077)
Show SMILES CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NC(C)C)c1=O
Show InChI InChI=1S/C22H23FN4O4/c1-12(2)26-17(28)11-27-16-9-14(8-13-4-6-15(23)7-5-13)10-25-19(16)20(29)18(22(27)31)21(30)24-3/h4-7,9-10,12,29H,8,11H2,1-3H3,(H,24,30)(H,26,28)
PDB

UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.80n/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