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BDBM74532 4-[3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid::4-[3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid::4-[5-(3,4-Dimethoxy-phenyl)-3-p-tolyl-4,5-dihydro-pyrazol-1-yl]-4-oxo-butyric acid::4-[5-(3,4-dimethoxyphenyl)-3-(p-tolyl)-2-pyrazolin-1-yl]-4-keto-butyric acid::MLS001211891::SMR000516942::cid_3132765

SMILES: COc1ccc(cc1OC)C1CC(=NN1C(=O)CCC(O)=O)c1ccc(C)cc1

InChI Key: InChIKey=VLKCLPMMZZBNDW-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 = 74532   
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
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP


(Homo sapiens (Human))
BDBM74532
PNG
(4-[3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,4-...)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1C(=O)CCC(O)=O)c1ccc(C)cc1 |c:13|
Show InChI InChI=1S/C22H24N2O5/c1-14-4-6-15(7-5-14)17-13-18(24(23-17)21(25)10-11-22(26)27)16-8-9-19(28-2)20(12-16)29-3/h4-9,12,18H,10-11,13H2,1-3H3,(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

Similars

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
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP


(Homo sapiens (Human))
BDBM74532
PNG
(4-[3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,4-...)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1C(=O)CCC(O)=O)c1ccc(C)cc1 |c:13|
Show InChI InChI=1S/C22H24N2O5/c1-14-4-6-15(7-5-14)17-13-18(24(23-17)21(25)10-11-22(26)27)16-8-9-19(28-2)20(12-16)29-3/h4-9,12,18H,10-11,13H2,1-3H3,(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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))
BDBM74532
PNG
(4-[3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,4-...)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1C(=O)CCC(O)=O)c1ccc(C)cc1 |c:13|
Show InChI InChI=1S/C22H24N2O5/c1-14-4-6-15(7-5-14)17-13-18(24(23-17)21(25)10-11-22(26)27)16-8-9-19(28-2)20(12-16)29-3/h4-9,12,18H,10-11,13H2,1-3H3,(H,26,27)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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