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SMILES: CN1CC(CC1=O)c1nc(C(=O)NCc2ccc(F)cc2S(C)(=O)=O)c(O)c2ncccc12

InChI Key: InChIKey=JQHRBYOCKAFRDX-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50479320   
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)		BDBM50479320
PNG
(CHEMBL478452)
Show SMILES CN1CC(CC1=O)c1nc(C(=O)NCc2ccc(F)cc2S(C)(=O)=O)c(O)c2ncccc12
Show InChI InChI=1S/C22H21FN4O5S/c1-27-11-13(8-17(27)28)18-15-4-3-7-24-19(15)21(29)20(26-18)22(30)25-10-12-5-6-14(23)9-16(12)33(2,31)32/h3-7,9,13,29H,8,10-11H2,1-2H3,(H,25,30)
PDB

UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 123n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 integrase strand transfer activity using immobilized DNA substrate

Bioorg Med Chem Lett 18: 5307-10 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.038
BindingDB Entry DOI: 10.7270/Q2TH8QG7
More data for this
Ligand-Target Pair