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SMILES: CSC1COCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C

InChI Key: InChIKey=JDRPVKFHRSSYPE-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50042005   
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)		BDBM50042005
PNG
(CHEMBL3360113)
Show SMILES CSC1COCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
Show InChI InChI=1S/C18H20FN3O4S/c1-22-16(12-8-26-9-13(12)27-2)21-14(15(23)18(22)25)17(24)20-7-10-3-5-11(19)6-4-10/h3-6,12-13,23H,7-9H2,1-2H3,(H,20,24)
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PC cid
PC sid
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Similars
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity

Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair