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SMILES: C[C@@H](CO)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N(C)C)c1=O

InChI Key: InChIKey=OBABQJQXEVNKNB-ZDUSSCGKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50045087   
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)		BDBM50045087
PNG
(CHEMBL3310089)
Show SMILES C[C@@H](CO)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N(C)C)c1=O |r|
Show InChI InChI=1S/C23H25FN4O5/c1-13(12-29)26-22(32)19-21(31)20-17(28(23(19)33)11-18(30)27(2)3)9-15(10-25-20)8-14-4-6-16(24)7-5-14/h4-7,9-10,13,29,31H,8,11-12H2,1-3H3,(H,26,32)/t13-/m0/s1
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PC sid
UniChem

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Article
PubMed
n/an/a 7.10n/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