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BDBM64731 MLS001212827::N-[[4-(diethylamino)phenyl]-(8-hydroxy-7-quinolinyl)methyl]pentanamide::N-[[4-(diethylamino)phenyl]-(8-hydroxy-7-quinolyl)methyl]valeramide::N-[[4-(diethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide::N-[[4-(diethylamino)phenyl]-(8-oxidanylquinolin-7-yl)methyl]pentanamide::Pentanoic acid [(4-diethylamino-phenyl)-(8-hydroxy-quinolin-7-yl)-methyl]-amide::SMR000517138::cid_2920952

SMILES: CCCCC(=O)NC(c1ccc(cc1)N(CC)CC)c1ccc2cccnc2c1O

InChI Key: InChIKey=WTVLPUWOVVAQKG-UHFFFAOYSA-N

Data: 1 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 64731   
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)
BDBM64731
PNG
(MLS001212827 | N-[[4-(diethylamino)phenyl]-(8-hydr...)
Show SMILES CCCCC(=O)NC(c1ccc(cc1)N(CC)CC)c1ccc2cccnc2c1O
Show InChI InChI=1S/C25H31N3O2/c1-4-7-10-22(29)27-23(19-11-14-20(15-12-19)28(5-2)6-3)21-16-13-18-9-8-17-26-24(18)25(21)30/h8-9,11-17,23,30H,4-7,10H2,1-3H3,(H,27,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC sid
UniChem

Similars

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
Hexokinase type I


(Homo sapiens)
BDBM64731
PNG
(MLS001212827 | N-[[4-(diethylamino)phenyl]-(8-hydr...)
Show SMILES CCCCC(=O)NC(c1ccc(cc1)N(CC)CC)c1ccc2cccnc2c1O
Show InChI InChI=1S/C25H31N3O2/c1-4-7-10-22(29)27-23(19-11-14-20(15-12-19)28(5-2)6-3)21-16-13-18-9-8-17-26-24(18)25(21)30/h8-9,11-17,23,30H,4-7,10H2,1-3H3,(H,27,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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UniChem

Similars

n/an/an/an/a>8.00E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2765CSM
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM64731
PNG
(MLS001212827 | N-[[4-(diethylamino)phenyl]-(8-hydr...)
Show SMILES CCCCC(=O)NC(c1ccc(cc1)N(CC)CC)c1ccc2cccnc2c1O
Show InChI InChI=1S/C25H31N3O2/c1-4-7-10-22(29)27-23(19-11-14-20(15-12-19)28(5-2)6-3)21-16-13-18-9-8-17-26-24(18)25(21)30/h8-9,11-17,23,30H,4-7,10H2,1-3H3,(H,27,29)
GoogleScholar
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UniChem

Similars

n/an/an/an/a 1.33E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2R78CQV
More data for this
Ligand-Target Pair