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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 479.9
BDBM68016

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)
BDBM68016
PNG
(7-(3-chlorophenyl)-6-[(2,4-dimethylanilino)-oxomet...)
Show SMILES CC(C)OC(=O)c1nc2N=C(C)C(C(c3cccc(Cl)c3)n2n1)C(=O)Nc1ccc(C)cc1C |t:9|
Show InChI InChI=1S/C25H26ClN5O3/c1-13(2)34-24(33)22-29-25-27-16(5)20(23(32)28-19-10-9-14(3)11-15(19)4)21(31(25)30-22)17-7-6-8-18(26)12-17/h6-13,20-21H,1-5H3,(H,28,32)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.53E+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)
BDBM68016
PNG
(7-(3-chlorophenyl)-6-[(2,4-dimethylanilino)-oxomet...)
Show SMILES CC(C)OC(=O)c1nc2N=C(C)C(C(c3cccc(Cl)c3)n2n1)C(=O)Nc1ccc(C)cc1C |t:9|
Show InChI InChI=1S/C25H26ClN5O3/c1-13(2)34-24(33)22-29-25-27-16(5)20(23(32)28-19-10-9-14(3)11-15(19)4)21(31(25)30-22)17-7-6-8-18(26)12-17/h6-13,20-21H,1-5H3,(H,28,32)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.53E+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))
BDBM68016
PNG
(7-(3-chlorophenyl)-6-[(2,4-dimethylanilino)-oxomet...)
Show SMILES CC(C)OC(=O)c1nc2N=C(C)C(C(c3cccc(Cl)c3)n2n1)C(=O)Nc1ccc(C)cc1C |t:9|
Show InChI InChI=1S/C25H26ClN5O3/c1-13(2)34-24(33)22-29-25-27-16(5)20(23(32)28-19-10-9-14(3)11-15(19)4)21(31(25)30-22)17-7-6-8-18(26)12-17/h6-13,20-21H,1-5H3,(H,28,32)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.72E+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/Q2NK3CGB
More data for this
Ligand-Target Pair