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BDBM50336847 2-(4-((5-(2-chlorophenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-2-ylidene)methyl)-2-methoxy-6-methylphenoxy)acetic acid::CHEMBL1672294

SMILES: CCOC(=O)C1=C(C)N=c2s\c(=C/c3cc(C)c(OCC(O)=O)c(OC)c3)c(=O)n2C1c1ccccc1Cl

InChI Key: InChIKey=CTJIZFFMITUMOP-NDENLUEZSA-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 = 50336847   
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 protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM50336847
PNG
(2-(4-((5-(2-chlorophenyl)-6-(ethoxycarbonyl)-7-met...)
Show SMILES CCOC(=O)C1=C(C)N=c2s\c(=C/c3cc(C)c(OCC(O)=O)c(OC)c3)c(=O)n2C1c1ccccc1Cl |c:5,t:8|
Show InChI InChI=1S/C27H25ClN2O7S/c1-5-36-26(34)22-15(3)29-27-30(23(22)17-8-6-7-9-18(17)28)25(33)20(38-27)12-16-10-14(2)24(19(11-16)35-4)37-13-21(31)32/h6-12,23H,5,13H2,1-4H3,(H,31,32)/b20-12-
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant HePTP expressed in Escherichia coli


ACS Med Chem Lett 2: 113-118 (2011)


Article DOI: 10.1021/ml100103p
BindingDB Entry DOI: 10.7270/Q2319WWQ
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Homo sapiens (Human))
BDBM50336847
PNG
(2-(4-((5-(2-chlorophenyl)-6-(ethoxycarbonyl)-7-met...)
Show SMILES CCOC(=O)C1=C(C)N=c2s\c(=C/c3cc(C)c(OCC(O)=O)c(OC)c3)c(=O)n2C1c1ccccc1Cl |c:5,t:8|
Show InChI InChI=1S/C27H25ClN2O7S/c1-5-36-26(34)22-15(3)29-27-30(23(22)17-8-6-7-9-18(17)28)25(33)20(38-27)12-16-10-14(2)24(19(11-16)35-4)37-13-21(31)32/h6-12,23H,5,13H2,1-4H3,(H,31,32)/b20-12-
PDB
MMDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.90E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant MKP3 expressed in Escherichia coli


ACS Med Chem Lett 2: 113-118 (2011)


Article DOI: 10.1021/ml100103p
BindingDB Entry DOI: 10.7270/Q2319WWQ
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50336847
PNG
(2-(4-((5-(2-chlorophenyl)-6-(ethoxycarbonyl)-7-met...)
Show SMILES CCOC(=O)C1=C(C)N=c2s\c(=C/c3cc(C)c(OCC(O)=O)c(OC)c3)c(=O)n2C1c1ccccc1Cl |c:5,t:8|
Show InChI InChI=1S/C27H25ClN2O7S/c1-5-36-26(34)22-15(3)29-27-30(23(22)17-8-6-7-9-18(17)28)25(33)20(38-27)12-16-10-14(2)24(19(11-16)35-4)37-13-21(31)32/h6-12,23H,5,13H2,1-4H3,(H,31,32)/b20-12-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.50E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant VHR expressed in Escherichia coli


ACS Med Chem Lett 2: 113-118 (2011)


Article DOI: 10.1021/ml100103p
BindingDB Entry DOI: 10.7270/Q2319WWQ
More data for this
Ligand-Target Pair