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SMILES: COc1ccccc1N1CCN(CC1)C(=O)C1CCN(CC1)C(=O)c1ccccc1Cl

InChI Key: InChIKey=KKBRYEVXXNLCPM-UHFFFAOYSA-N

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 = 74539   
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))
BDBM74539
PNG
(MLS001035416 | SMR000665109 | [1-(2-chlorobenzoyl)...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)C1CCN(CC1)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C24H28ClN3O3/c1-31-22-9-5-4-8-21(22)26-14-16-28(17-15-26)23(29)18-10-12-27(13-11-18)24(30)19-6-2-3-7-20(19)25/h2-9,18H,10-17H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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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/Q24748BK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM74539
PNG
(MLS001035416 | SMR000665109 | [1-(2-chlorobenzoyl)...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)C1CCN(CC1)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C24H28ClN3O3/c1-31-22-9-5-4-8-21(22)26-14-16-28(17-15-26)23(29)18-10-12-27(13-11-18)24(30)19-6-2-3-7-20(19)25/h2-9,18H,10-17H2,1H3
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
Tyrosine-protein phosphatase non-receptor type 7


(Homo sapiens (Human))
BDBM74539
PNG
(MLS001035416 | SMR000665109 | [1-(2-chlorobenzoyl)...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)C1CCN(CC1)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C24H28ClN3O3/c1-31-22-9-5-4-8-21(22)26-14-16-28(17-15-26)23(29)18-10-12-27(13-11-18)24(30)19-6-2-3-7-20(19)25/h2-9,18H,10-17H2,1H3
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