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BDBM77529 MLS000548411::N-[1,3-benzodioxol-5-yl-(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]butanamide::N-[1,3-benzodioxol-5-yl-(5-chloro-8-hydroxy-7-quinolinyl)methyl]butanamide::N-[1,3-benzodioxol-5-yl-(5-chloro-8-hydroxy-7-quinolyl)methyl]butyramide::N-[1,3-benzodioxol-5-yl-(5-chloro-8-hydroxyquinolin-7-yl)methyl]butanamide::N-[Benzo[1,3]dioxol-5-yl-(5-chloro-8-hydroxy-quinolin-7-yl)-methyl]-butyramide::SMR000172091::cid_3138755

SMILES: CCCC(=O)NC(c1ccc2OCOc2c1)c1cc(Cl)c2cccnc2c1O

InChI Key: InChIKey=BIQMEYCMAGHOEQ-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 77529   
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)
BDBM77529
PNG
(MLS000548411 | N-[1,3-benzodioxol-5-yl-(5-chlorany...)
Show SMILES CCCC(=O)NC(c1ccc2OCOc2c1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C21H19ClN2O4/c1-2-4-18(25)24-19(12-6-7-16-17(9-12)28-11-27-16)14-10-15(22)13-5-3-8-23-20(13)21(14)26/h3,5-10,19,26H,2,4,11H2,1H3,(H,24,25)
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UniChem
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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
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM77529
PNG
(MLS000548411 | N-[1,3-benzodioxol-5-yl-(5-chlorany...)
Show SMILES CCCC(=O)NC(c1ccc2OCOc2c1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C21H19ClN2O4/c1-2-4-18(25)24-19(12-6-7-16-17(9-12)28-11-27-16)14-10-15(22)13-5-3-8-23-20(13)21(14)26/h3,5-10,19,26H,2,4,11H2,1H3,(H,24,25)
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UniChem
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n/an/a 7.71E+3n/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 (2012)


Article DOI: 10.1016/j.bioorg.2016.07.002
BindingDB Entry DOI: 10.7270/Q2HT2MXV
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM77529
PNG
(MLS000548411 | N-[1,3-benzodioxol-5-yl-(5-chlorany...)
Show SMILES CCCC(=O)NC(c1ccc2OCOc2c1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C21H19ClN2O4/c1-2-4-18(25)24-19(12-6-7-16-17(9-12)28-11-27-16)14-10-15(22)13-5-3-8-23-20(13)21(14)26/h3,5-10,19,26H,2,4,11H2,1H3,(H,24,25)
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UniChem
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PCBioAssay
n/an/a 7.24E+3n/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 (2012)


Article DOI: 10.1016/j.bioorg.2016.07.007
BindingDB Entry DOI: 10.7270/Q28914F2
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM77529
PNG
(MLS000548411 | N-[1,3-benzodioxol-5-yl-(5-chlorany...)
Show SMILES CCCC(=O)NC(c1ccc2OCOc2c1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C21H19ClN2O4/c1-2-4-18(25)24-19(12-6-7-16-17(9-12)28-11-27-16)14-10-15(22)13-5-3-8-23-20(13)21(14)26/h3,5-10,19,26H,2,4,11H2,1H3,(H,24,25)
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n/an/a 7.92E+3n/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 (2012)


Article DOI: 10.1016/j.bioorg.2016.07.005
BindingDB Entry DOI: 10.7270/Q2D21W6V
More data for this
Ligand-Target Pair