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SMILES: CN1CCN(CC1(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C)C(C)=O

InChI Key: InChIKey=NFEPQYVYHPMREC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50480787   
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)		BDBM50480787
PNG
(CHEMBL549592)
Show SMILES CN1CCN(CC1(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C)C(C)=O
Show InChI InChI=1S/C21H26FN5O4/c1-13(28)27-10-9-25(3)21(2,12-27)20-24-16(17(29)19(31)26(20)4)18(30)23-11-14-5-7-15(22)8-6-14/h5-8,29H,9-12H2,1-4H3,(H,23,30)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



IRBM-Merck Research Laboratories Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase strand transfer activity

Bioorg Med Chem Lett 19: 4617-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.091
BindingDB Entry DOI: 10.7270/Q24F1TJT
More data for this
Ligand-Target Pair