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SMILES: Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NCCN2CCNC2=O)c1=O

InChI Key: InChIKey=GJMZOCBMDJSXPQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50489284   
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)		BDBM50489284
PNG
(CHEMBL2315830)
Show SMILES Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NCCN2CCNC2=O)c1=O
Show InChI InChI=1S/C22H22FN5O4/c1-27-16-11-14(10-13-2-4-15(23)5-3-13)12-26-18(16)19(29)17(21(27)31)20(30)24-6-8-28-9-7-25-22(28)32/h2-5,11-12,29H,6-10H2,1H3,(H,24,30)(H,25,32)
PDB

UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline Research & Development

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity

Bioorg Med Chem Lett 23: 422-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.071
BindingDB Entry DOI: 10.7270/Q2XK8JFB
More data for this
Ligand-Target Pair