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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 311.7
BDBM67784
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM67784
PNG
(1-(4-chlorobenzyl)-2,3-dihydroimidazo[2,1-b]quinaz...)
Show SMILES Clc1ccc(CN2CCn3c2nc2ccccc2c3=O)cc1
Show InChI InChI=1S/C17H14ClN3O/c18-13-7-5-12(6-8-13)11-20-9-10-21-16(22)14-3-1-2-4-15(14)19-17(20)21/h1-8H,9-11H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.24E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM67784
PNG
(1-(4-chlorobenzyl)-2,3-dihydroimidazo[2,1-b]quinaz...)
Show SMILES Clc1ccc(CN2CCn3c2nc2ccccc2c3=O)cc1
Show InChI InChI=1S/C17H14ClN3O/c18-13-7-5-12(6-8-13)11-20-9-10-21-16(22)14-3-1-2-4-15(14)19-17(20)21/h1-8H,9-11H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.24E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
X-box-binding protein 1


(Homo sapiens (Human))
BDBM67784
PNG
(1-(4-chlorobenzyl)-2,3-dihydroimidazo[2,1-b]quinaz...)
Show SMILES Clc1ccc(CN2CCn3c2nc2ccccc2c3=O)cc1
Show InChI InChI=1S/C17H14ClN3O/c18-13-7-5-12(6-8-13)11-20-9-10-21-16(22)14-3-1-2-4-15(14)19-17(20)21/h1-8H,9-11H2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair