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SMILES: CC(C)(CO)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O

InChI Key: InChIKey=UMJDGJBTISXJDU-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50489287   
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)		BDBM50489287
PNG
(CHEMBL2316116)
Show SMILES CC(C)(CO)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O
Show InChI InChI=1S/C20H20FN3O4/c1-20(2,10-25)24-19(28)15-17(26)16-14(23-18(15)27)8-12(9-22-16)7-11-3-5-13(21)6-4-11/h3-6,8-9,25H,7,10H2,1-2H3,(H,24,28)(H2,23,26,27)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/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