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BDBM74457 (4-isonicotinoylpiperazino)-(4-pyridyl)methanone::1,4-diisonicotinoylpiperazine::MLS000061046::SMR000069811::[4-(pyridine-4-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone::[4-[oxo(pyridin-4-yl)methyl]-1-piperazinyl]-pyridin-4-ylmethanone::cid_706240::pyridin-4-yl-(4-pyridin-4-ylcarbonylpiperazin-1-yl)methanone

SMILES: O=C(N1CCN(CC1)C(=O)c1ccncc1)c1ccncc1

InChI Key: InChIKey=PQOCAFLVISLZNI-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 74457   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM74457
PNG
((4-isonicotinoylpiperazino)-(4-pyridyl)methanone |...)
Show SMILES O=C(N1CCN(CC1)C(=O)c1ccncc1)c1ccncc1
Show InChI InChI=1S/C16H16N4O2/c21-15(13-1-5-17-6-2-13)19-9-11-20(12-10-19)16(22)14-3-7-18-8-4-14/h1-8H,9-12H2
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a>7.94E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, ...


PubChem Bioassay (2010)


Article DOI: 10.1038/nchembio.1629
BindingDB Entry DOI: 10.7270/Q24748BK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM74457
PNG
((4-isonicotinoylpiperazino)-(4-pyridyl)methanone |...)
Show SMILES O=C(N1CCN(CC1)C(=O)c1ccncc1)c1ccncc1
Show InChI InChI=1S/C16H16N4O2/c21-15(13-1-5-17-6-2-13)19-9-11-20(12-10-19)16(22)14-3-7-18-8-4-14/h1-8H,9-12H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>7.94E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RTC
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM74457
PNG
((4-isonicotinoylpiperazino)-(4-pyridyl)methanone |...)
Show SMILES O=C(N1CCN(CC1)C(=O)c1ccncc1)c1ccncc1
Show InChI InChI=1S/C16H16N4O2/c21-15(13-1-5-17-6-2-13)19-9-11-20(12-10-19)16(22)14-3-7-18-8-4-14/h1-8H,9-12H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>7.94E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2VQ314Z
More data for this
Ligand-Target Pair