BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 454.3
BDBM66173
Purchase

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

Found 5 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
Isoform 2 of Nuclear receptor corepressor 2 (TRAC-1)


(Homo sapiens (Human))
BDBM66173
PNG
(MLS000666816 | N-(5-bromanylpyridin-2-yl)-2-[2-[(2...)
Show SMILES Cc1cccc(C)c1NC(=O)COc1ccccc1C(=O)Nc1ccc(Br)cn1
Show InChI InChI=1S/C22H20BrN3O3/c1-14-6-5-7-15(2)21(14)26-20(27)13-29-18-9-4-3-8-17(18)22(28)25-19-11-10-16(23)12-24-19/h3-12H,13H2,1-2H3,(H,26,27)(H,24,25,28)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.30E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28914BQ
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM66173
PNG
(MLS000666816 | N-(5-bromanylpyridin-2-yl)-2-[2-[(2...)
Show SMILES Cc1cccc(C)c1NC(=O)COc1ccccc1C(=O)Nc1ccc(Br)cn1
Show InChI InChI=1S/C22H20BrN3O3/c1-14-6-5-7-15(2)21(14)26-20(27)13-29-18-9-4-3-8-17(18)22(28)25-19-11-10-16(23)12-24-19/h3-12H,13H2,1-2H3,(H,26,27)(H,24,25,28)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.01E+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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM66173
PNG
(MLS000666816 | N-(5-bromanylpyridin-2-yl)-2-[2-[(2...)
Show SMILES Cc1cccc(C)c1NC(=O)COc1ccccc1C(=O)Nc1ccc(Br)cn1
Show InChI InChI=1S/C22H20BrN3O3/c1-14-6-5-7-15(2)21(14)26-20(27)13-29-18-9-4-3-8-17(18)22(28)25-19-11-10-16(23)12-24-19/h3-12H,13H2,1-2H3,(H,26,27)(H,24,25,28)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.01E+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
X-box-binding protein 1


(Homo sapiens (Human))
BDBM66173
PNG
(MLS000666816 | N-(5-bromanylpyridin-2-yl)-2-[2-[(2...)
Show SMILES Cc1cccc(C)c1NC(=O)COc1ccccc1C(=O)Nc1ccc(Br)cn1
Show InChI InChI=1S/C22H20BrN3O3/c1-14-6-5-7-15(2)21(14)26-20(27)13-29-18-9-4-3-8-17(18)22(28)25-19-11-10-16(23)12-24-19/h3-12H,13H2,1-2H3,(H,26,27)(H,24,25,28)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 9.29E+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
Photoreceptor-specific nuclear receptor


(Homo sapiens (Human))
BDBM66173
PNG
(MLS000666816 | N-(5-bromanylpyridin-2-yl)-2-[2-[(2...)
Show SMILES Cc1cccc(C)c1NC(=O)COc1ccccc1C(=O)Nc1ccc(Br)cn1
Show InChI InChI=1S/C22H20BrN3O3/c1-14-6-5-7-15(2)21(14)26-20(27)13-29-18-9-4-3-8-17(18)22(28)25-19-11-10-16(23)12-24-19/h3-12H,13H2,1-2H3,(H,26,27)(H,24,25,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>3.98E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2D21W22
More data for this
Ligand-Target Pair