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BDBM50479325 CHEMBL514555

SMILES: CCN1CC(CC1=O)c1nc(C(=O)NCc2ccc(F)cc2S(C)(=O)=O)c(O)c2ncccc12

InChI Key: InChIKey=YSIMBNDIQQVRNI-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50479325   
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)		BDBM50479325
PNG
(CHEMBL514555)
Show SMILES CCN1CC(CC1=O)c1nc(C(=O)NCc2ccc(F)cc2S(C)(=O)=O)c(O)c2ncccc12
Show InChI InChI=1S/C23H23FN4O5S/c1-3-28-12-14(9-18(28)29)19-16-5-4-8-25-20(16)22(30)21(27-19)23(31)26-11-13-6-7-15(24)10-17(13)34(2,32)33/h4-8,10,14,30H,3,9,11-12H2,1-2H3,(H,26,31)
PDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 26n/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