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BDBM64667 MLS000715379::N-[(4-methoxyphenyl)-(8-oxidanylquinolin-7-yl)methyl]butanamide::N-[(8-hydroxy-7-quinolinyl)-(4-methoxyphenyl)methyl]butanamide::N-[(8-hydroxy-7-quinolyl)-(4-methoxyphenyl)methyl]butyramide::N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]butanamide::SMR000275358::cid_2876872

SMILES: CCCC(=O)NC(c1ccc(OC)cc1)c1ccc2cccnc2c1O

InChI Key: InChIKey=WNXRKLHAOWNKAF-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 64667   
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
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM64667
PNG
(MLS000715379 | N-[(4-methoxyphenyl)-(8-oxidanylqui...)
Show SMILES CCCC(=O)NC(c1ccc(OC)cc1)c1ccc2cccnc2c1O
Show InChI InChI=1S/C21H22N2O3/c1-3-5-18(24)23-19(15-7-10-16(26-2)11-8-15)17-12-9-14-6-4-13-22-20(14)21(17)25/h4,6-13,19,25H,3,5H2,1-2H3,(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.19E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM64667
PNG
(MLS000715379 | N-[(4-methoxyphenyl)-(8-oxidanylqui...)
Show SMILES CCCC(=O)NC(c1ccc(OC)cc1)c1ccc2cccnc2c1O
Show InChI InChI=1S/C21H22N2O3/c1-3-5-18(24)23-19(15-7-10-16(26-2)11-8-15)17-12-9-14-6-4-13-22-20(14)21(17)25/h4,6-13,19,25H,3,5H2,1-2H3,(H,23,24)
PDB

UniProtKB/TrEMBL

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PC sid
UniChem

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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase 3'-processing activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM64667
PNG
(MLS000715379 | N-[(4-methoxyphenyl)-(8-oxidanylqui...)
Show SMILES CCCC(=O)NC(c1ccc(OC)cc1)c1ccc2cccnc2c1O
Show InChI InChI=1S/C21H22N2O3/c1-3-5-18(24)23-19(15-7-10-16(26-2)11-8-15)17-12-9-14-6-4-13-22-20(14)21(17)25/h4,6-13,19,25H,3,5H2,1-2H3,(H,23,24)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair