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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 381.3
BDBM41084
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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
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM41084
PNG
(MLS000571311 | N-(3-imidazo[1,2-a]pyridin-2-ylphen...)
Show SMILES O=C(Nc1cccc(c1)-c1cn2ccccc2n1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C23H15N3O3/c27-22(18-13-16-6-1-2-9-20(16)29-23(18)28)24-17-8-5-7-15(12-17)19-14-26-11-4-3-10-21(26)25-19/h1-14H,(H,24,27)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PCBioAssay
n/an/a 3.25E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))
BDBM41084
PNG
(MLS000571311 | N-(3-imidazo[1,2-a]pyridin-2-ylphen...)
Show SMILES O=C(Nc1cccc(c1)-c1cn2ccccc2n1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C23H15N3O3/c27-22(18-13-16-6-1-2-9-20(16)29-23(18)28)24-17-8-5-7-15(12-17)19-14-26-11-4-3-10-21(26)25-19/h1-14H,(H,24,27)
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem

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PCBioAssay
n/an/a 4.50E+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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM41084
PNG
(MLS000571311 | N-(3-imidazo[1,2-a]pyridin-2-ylphen...)
Show SMILES O=C(Nc1cccc(c1)-c1cn2ccccc2n1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C23H15N3O3/c27-22(18-13-16-6-1-2-9-20(16)29-23(18)28)24-17-8-5-7-15(12-17)19-14-26-11-4-3-10-21(26)25-19/h1-14H,(H,24,27)
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem

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PCBioAssay
n/an/a 7.49E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GM85XC
More data for this
Ligand-Target Pair
Neutrophil cytosol factor 1 [S99G]


(Homo sapiens (Human))
BDBM41084
PNG
(MLS000571311 | N-(3-imidazo[1,2-a]pyridin-2-ylphen...)
Show SMILES O=C(Nc1cccc(c1)-c1cn2ccccc2n1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C23H15N3O3/c27-22(18-13-16-6-1-2-9-20(16)29-23(18)28)24-17-8-5-7-15(12-17)19-14-26-11-4-3-10-21(26)25-19/h1-14H,(H,24,27)
PDB
MMDB

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KEGG

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PC cid
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PCBioAssay
n/an/a 2.68E+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: Susan Smith, Emory Univers...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2M90723
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM41084
PNG
(MLS000571311 | N-(3-imidazo[1,2-a]pyridin-2-ylphen...)
Show SMILES O=C(Nc1cccc(c1)-c1cn2ccccc2n1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C23H15N3O3/c27-22(18-13-16-6-1-2-9-20(16)29-23(18)28)24-17-8-5-7-15(12-17)19-14-26-11-4-3-10-21(26)25-19/h1-14H,(H,24,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>8.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2JD4VDZ
More data for this
Ligand-Target Pair