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SMILES: COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(C)=O)N1c1ccc(cc1)C#N

InChI Key: InChIKey=XTUOTTXOPBBSCH-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50499570   
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)		BDBM50499570
PNG
(CHEMBL3740056)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(C)=O)N1c1ccc(cc1)C#N |t:9|
Show InChI InChI=1S/C26H21FN2O2/c1-17(30)13-26-24-15-21(27)8-5-20(24)14-25(19-6-11-23(31-2)12-7-19)29(26)22-9-3-18(16-28)4-10-22/h3-12,14-15,26H,13H2,1-2H3
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair