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Compile Data Set for Download or QSAR

Found 6 hits of ic50 for monomerid = 50393495   
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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393495
PNG
(CHEMBL2159725)
Show SMILES CCOc1ccc2nc(NC(=O)CSc3nc4sc(C)c(C)c4c(=O)[nH]3)sc2c1
Show InChI InChI=1S/C19H18N4O3S3/c1-4-26-11-5-6-12-13(7-11)29-19(20-12)21-14(24)8-27-18-22-16(25)15-9(2)10(3)28-17(15)23-18/h5-7H,4,8H2,1-3H3,(H,20,21,24)(H,22,23,25)
PDB

UniProtKB/SwissProt

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PC sid
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Article
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n/an/a 6.20E+3n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of LYP expressed in Escherichia coli BL21 using ARLIED-NEpYTAREG substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 7


(Homo sapiens (Human))
BDBM50393495
PNG
(CHEMBL2159725)
Show SMILES CCOc1ccc2nc(NC(=O)CSc3nc4sc(C)c(C)c4c(=O)[nH]3)sc2c1
Show InChI InChI=1S/C19H18N4O3S3/c1-4-26-11-5-6-12-13(7-11)29-19(20-12)21-14(24)8-27-18-22-16(25)15-9(2)10(3)28-17(15)23-18/h5-7H,4,8H2,1-3H3,(H,20,21,24)(H,22,23,25)
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PC sid
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PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HePTP expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393495
PNG
(CHEMBL2159725)
Show SMILES CCOc1ccc2nc(NC(=O)CSc3nc4sc(C)c(C)c4c(=O)[nH]3)sc2c1
Show InChI InChI=1S/C19H18N4O3S3/c1-4-26-11-5-6-12-13(7-11)29-19(20-12)21-14(24)8-27-18-22-16(25)15-9(2)10(3)28-17(15)23-18/h5-7H,4,8H2,1-3H3,(H,20,21,24)(H,22,23,25)
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n/an/a 1.12E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of LYP expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 12


(Homo sapiens (Human))
BDBM50393495
PNG
(CHEMBL2159725)
Show SMILES CCOc1ccc2nc(NC(=O)CSc3nc4sc(C)c(C)c4c(=O)[nH]3)sc2c1
Show InChI InChI=1S/C19H18N4O3S3/c1-4-26-11-5-6-12-13(7-11)29-19(20-12)21-14(24)8-27-18-22-16(25)15-9(2)10(3)28-17(15)23-18/h5-7H,4,8H2,1-3H3,(H,20,21,24)(H,22,23,25)
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of PTP-PEST expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase C


(Homo sapiens (Human))
BDBM50393495
PNG
(CHEMBL2159725)
Show SMILES CCOc1ccc2nc(NC(=O)CSc3nc4sc(C)c(C)c4c(=O)[nH]3)sc2c1
Show InChI InChI=1S/C19H18N4O3S3/c1-4-26-11-5-6-12-13(7-11)29-19(20-12)21-14(24)8-27-18-22-16(25)15-9(2)10(3)28-17(15)23-18/h5-7H,4,8H2,1-3H3,(H,20,21,24)(H,22,23,25)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of CD45


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50393495
PNG
(CHEMBL2159725)
Show SMILES CCOc1ccc2nc(NC(=O)CSc3nc4sc(C)c(C)c4c(=O)[nH]3)sc2c1
Show InChI InChI=1S/C19H18N4O3S3/c1-4-26-11-5-6-12-13(7-11)29-19(20-12)21-14(24)8-27-18-22-16(25)15-9(2)10(3)28-17(15)23-18/h5-7H,4,8H2,1-3H3,(H,20,21,24)(H,22,23,25)
PDB

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>9.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of LMPTP-A expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair