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SMILES: CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N2CCCC2)c1=O

InChI Key: InChIKey=CQJFSUBLVBRDAG-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50045099   
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
Integrase


(Human immunodeficiency virus 1)		BDBM50045099
PNG
(CHEMBL3309907)
Show SMILES CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N2CCCC2)c1=O
Show InChI InChI=1S/C23H23FN4O4/c1-25-22(31)19-21(30)20-17(28(23(19)32)13-18(29)27-8-2-3-9-27)11-15(12-26-20)10-14-4-6-16(24)7-5-14/h4-7,11-12,30H,2-3,8-10,13H2,1H3,(H,25,31)
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UniProtKB/TrEMBL

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UniChem

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Article
PubMed
n/an/a 13n/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