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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 275.3
BDBM48527
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM48527
PNG
(1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinol...)
Show SMILES Cc1cccc(c1)N1CCc2c1nc1ccccc1c2N
Show InChI InChI=1S/C18H17N3/c1-12-5-4-6-13(11-12)21-10-9-15-17(19)14-7-2-3-8-16(14)20-18(15)21/h2-8,11H,9-10H2,1H3,(H2,19,20)
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MMDB

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B.MOAD
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PCBioAssay
n/an/a>2.00E+4n/an/an/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4 gamma 1


(Homo sapiens (Human))
BDBM48527
PNG
(1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinol...)
Show SMILES Cc1cccc(c1)N1CCc2c1nc1ccccc1c2N
Show InChI InChI=1S/C18H17N3/c1-12-5-4-6-13(11-12)21-10-9-15-17(19)14-7-2-3-8-16(14)20-18(15)21/h2-8,11H,9-10H2,1H3,(H2,19,20)
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n/an/a 6.40E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2RN3686
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM48527
PNG
(1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinol...)
Show SMILES Cc1cccc(c1)N1CCc2c1nc1ccccc1c2N
Show InChI InChI=1S/C18H17N3/c1-12-5-4-6-13(11-12)21-10-9-15-17(19)14-7-2-3-8-16(14)20-18(15)21/h2-8,11H,9-10H2,1H3,(H2,19,20)
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n/an/an/an/a 3.07E+3n/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM48527
PNG
(1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinol...)
Show SMILES Cc1cccc(c1)N1CCc2c1nc1ccccc1c2N
Show InChI InChI=1S/C18H17N3/c1-12-5-4-6-13(11-12)21-10-9-15-17(19)14-7-2-3-8-16(14)20-18(15)21/h2-8,11H,9-10H2,1H3,(H2,19,20)
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n/an/an/an/a 3.43E+3n/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2251GM6
More data for this
Ligand-Target Pair