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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM22643'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Integrase


(Human immunodeficiency virus 1)		BDBM22643
PNG
(N-Me-pyrimidone deriv., 42 | N-[(4-fluorophenyl)me...)
Show SMILES CN1CCN(CC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C)S(C)(=O)=O
Show InChI InChI=1S/C19H24FN5O5S/c1-23-8-9-25(31(3,29)30)11-14(23)17-22-15(16(26)19(28)24(17)2)18(27)21-10-12-4-6-13(20)7-5-12/h4-7,14,26H,8-11H2,1-3H3,(H,21,27)
PDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 30n/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