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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50484397'   
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)		BDBM50484397
PNG
(CHEMBL1914460)
Show SMILES CN(C)C(=O)Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NCc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C27H24F2N4O4/c1-32(2)22(34)15-33-21-12-18(11-16-3-7-19(28)8-4-16)14-30-24(21)25(35)23(27(33)37)26(36)31-13-17-5-9-20(29)10-6-17/h3-10,12,14,35H,11,13,15H2,1-2H3,(H,31,36)
PDB

UniProtKB/TrEMBL

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



GlaxoSmithKline Research & Development

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer by biochemical assay

Bioorg Med Chem Lett 21: 6461-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.082
BindingDB Entry DOI: 10.7270/Q22Z18CH
More data for this
Ligand-Target Pair