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Target
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Compile Data Set for Download or QSAR
Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 303.1
BDBM68088
Purchase
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
3
hits in this display
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
DNA damage-inducible transcript 3 protein
(Mus musculus)
BDBM68088
(4-(dichloromethyl)-2-(4-methylphenyl)quinazoline |...)
Show SMILES
Cc1ccc(cc1)-c1nc(C(Cl)Cl)c2ccccc2n1
Show InChI
InChI=1S/C16H12Cl2N2/c1-10-6-8-11(9-7-10)16-19-13-5-3-2-4-12(13)14(20-16)15(17)18/h2-9,15H,1H3
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
PC cid
PC sid
UniChem
PCBioAssay
n/a
n/a
2.41E+3
n/a
n/a
n/a
n/a
n/a
n/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)
BDBM68088
(4-(dichloromethyl)-2-(4-methylphenyl)quinazoline |...)
Show SMILES
Cc1ccc(cc1)-c1nc(C(Cl)Cl)c2ccccc2n1
Show InChI
InChI=1S/C16H12Cl2N2/c1-10-6-8-11(9-7-10)16-19-13-5-3-2-4-12(13)14(20-16)15(17)18/h2-9,15H,1H3
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
PC cid
PC sid
UniChem
PCBioAssay
n/a
n/a
2.41E+3
n/a
n/a
n/a
n/a
n/a
n/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))
BDBM68088
(4-(dichloromethyl)-2-(4-methylphenyl)quinazoline |...)
Show SMILES
Cc1ccc(cc1)-c1nc(C(Cl)Cl)c2ccccc2n1
Show InChI
InChI=1S/C16H12Cl2N2/c1-10-6-8-11(9-7-10)16-19-13-5-3-2-4-12(13)14(20-16)15(17)18/h2-9,15H,1H3
PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
Purchase
PC cid
PC sid
UniChem
PCBioAssay
n/a
n/a
4.90E+3
n/a
n/a
n/a
n/a
n/a
n/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