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PDB code 3QCF

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 4 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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
Receptor-type tyrosine-protein phosphatase gamma (PTPγ)


(Homo sapiens (Human))
BDBM50355636
PNG
(CHEMBL1403981)
Show SMILES OC(=O)c1sccc1SCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C12H8Cl2O2S2/c13-8-2-1-7(5-9(8)14)6-18-10-3-4-17-11(10)12(15)16/h1-5H,6H2,(H,15,16)
UniProtKB/SwissProt

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PubMed
2.50E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of RPTPgamma expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincub...


J Med Chem 54: 6548-62 (2011)

More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase gamma (PTPγ)


(Homo sapiens (Human))
BDBM50355636
PNG
(CHEMBL1403981)
Show SMILES OC(=O)c1sccc1SCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C12H8Cl2O2S2/c13-8-2-1-7(5-9(8)14)6-18-10-3-4-17-11(10)12(15)16/h1-5H,6H2,(H,15,16)
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PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of RPTPgamma expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincub...


J Med Chem 54: 6548-62 (2011)

More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase gamma (PTPγ)


(Homo sapiens (Human))
BDBM50355636
PNG
(CHEMBL1403981)
Show SMILES OC(=O)c1sccc1SCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C12H8Cl2O2S2/c13-8-2-1-7(5-9(8)14)6-18-10-3-4-17-11(10)12(15)16/h1-5H,6H2,(H,15,16)
UniProtKB/SwissProt

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PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of RPTPgamma expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincub...


J Med Chem 54: 6548-62 (2011)

More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase gamma (PTPγ)


(Homo sapiens (Human))
BDBM50355636
PNG
(CHEMBL1403981)
Show SMILES OC(=O)c1sccc1SCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C12H8Cl2O2S2/c13-8-2-1-7(5-9(8)14)6-18-10-3-4-17-11(10)12(15)16/h1-5H,6H2,(H,15,16)
UniProtKB/SwissProt

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CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a 1.28E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of RPTPgamma expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide by FRET ...


J Med Chem 54: 6548-62 (2011)

More data for this
Ligand-Target Pair

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output