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SMILES: COc1cc(cc(OC)c1OC)C(\O)=C\C(=O)c1nnn(Cc2ccc(F)cc2)c1C

InChI Key: InChIKey=FYTPYMYYOACOTL-BOPFTXTBSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50484519   
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)		BDBM50484519
PNG
(CHEMBL1928160)
Show SMILES COc1cc(cc(OC)c1OC)C(\O)=C\C(=O)c1nnn(Cc2ccc(F)cc2)c1C
Show InChI InChI=1S/C22H22FN3O5/c1-13-21(24-25-26(13)12-14-5-7-16(23)8-6-14)18(28)11-17(27)15-9-19(29-2)22(31-4)20(10-15)30-3/h5-11,27H,12H2,1-4H3/b17-11-
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>4.70E+4n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase-mediated strand transfer activity after 1 hr

Bioorg Med Chem 20: 177-82 (2012)


Article DOI: 10.1016/j.bmc.2011.11.014
BindingDB Entry DOI: 10.7270/Q2NP278N
More data for this
Ligand-Target Pair