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PubMed code 28345882

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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
Protein tyrosine phosphatase 1B (PTP1B)


(Homo sapiens (Human))
BDBM50166435
PNG
(5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-...)
Show SMILES COc1ccc(cc1N1CC(=O)NS1(=O)=O)-c1ccccc1
Show InChI InChI=1S/C15H14N2O4S/c1-21-14-8-7-12(11-5-3-2-4-6-11)9-13(14)17-10-15(18)16-22(17,19)20/h2-9H,10H2,1H3,(H,16,18)
PDB

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PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
2.40E+3n/a 4.80E+3n/an/an/an/a7.0n/a



University of Missouri



Assay Description
Assays for the reversible inhibition of PTP1B (72 nM) contained the test compound(2a, 2b, 5a, or 5b) in Bis-Tris (50 mM), NaCl (100 mM), EDTA (2 mM),...


Biochemistry 56: 2051-2060 (2017)


Article DOI: 10.1021/acs.biochem.7b00151
BindingDB Entry DOI: 10.7270/Q2HX1BJ8
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase 1B (PTP1B)


(Homo sapiens (Human))
BDBM223197
PNG
(2-Bromo-N-[3'-(1,1-dioxido-4-oxo-1,2,5-thiadia...)
Show SMILES Cc1ccc(cc1N1CC(=O)NS1(=O)=O)-c1ccc(NC(=O)CBr)cc1
Show InChI InChI=1S/C17H16BrN3O4S/c1-11-2-3-13(8-15(11)21-10-17(23)20-26(21,24)25)12-4-6-14(7-5-12)19-16(22)9-18/h2-8H,9-10H2,1H3,(H,19,22)(H,20,23)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
2.70E+4n/a 5.40E+4n/an/an/an/a7.0n/a



University of Missouri



Assay Description
Assays for the reversible inhibition of PTP1B (72 nM) contained the test compound(2a, 2b, 5a, or 5b) in Bis-Tris (50 mM), NaCl (100 mM), EDTA (2 mM),...


Biochemistry 56: 2051-2060 (2017)


Article DOI: 10.1021/acs.biochem.7b00151
BindingDB Entry DOI: 10.7270/Q2HX1BJ8
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase 1B (PTP1B)


(Homo sapiens (Human))
BDBM223198
PNG
(N-[3'-(1,1-Dioxido-4-oxo-1,2,5-thiadiazolidin-...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1ccc(C)c(c1)N1CC(=O)NS1(=O)=O
Show InChI InChI=1S/C17H17N3O4S/c1-11-3-4-14(13-5-7-15(8-6-13)18-12(2)21)9-16(11)20-10-17(22)19-25(20,23)24/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.20E+4n/a 6.40E+4n/an/an/an/a7.0n/a



University of Missouri



Assay Description
Assays for the reversible inhibition of PTP1B (72 nM) contained the test compound(2a, 2b, 5a, or 5b) in Bis-Tris (50 mM), NaCl (100 mM), EDTA (2 mM),...


Biochemistry 56: 2051-2060 (2017)


Article DOI: 10.1021/acs.biochem.7b00151
BindingDB Entry DOI: 10.7270/Q2HX1BJ8
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase 1B (PTP1B)


(Homo sapiens (Human))
BDBM223199
PNG
(5-(4-Methyl[1,1'-biphenyl]-3-yl)-1,2,5-thiadia...)
Show SMILES Cc1ccc(cc1N1CC(=O)NS1(=O)=O)-c1ccccc1
Show InChI InChI=1S/C15H14N2O3S/c1-11-7-8-13(12-5-3-2-4-6-12)9-14(11)17-10-15(18)16-21(17,19)20/h2-9H,10H2,1H3,(H,16,18)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.85E+4n/a 7.70E+4n/an/an/an/a7.0n/a



University of Missouri



Assay Description
Assays for the reversible inhibition of PTP1B (72 nM) contained the test compound(2a, 2b, 5a, or 5b) in Bis-Tris (50 mM), NaCl (100 mM), EDTA (2 mM),...


Biochemistry 56: 2051-2060 (2017)


Article DOI: 10.1021/acs.biochem.7b00151
BindingDB Entry DOI: 10.7270/Q2HX1BJ8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%