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15 molecules are shown

Wt: 253.2
BDBM14211
Wt: 252.2
BDBM14214
Wt: 267.2
BDBM14215
Wt: 253.2
BDBM14216
Wt: 286.6
BDBM14218
Wt: 300.7
BDBM14219
Wt: 304.6
BDBM14220
Wt: 331.1
BDBM14221
Wt: 328.3
BDBM14222
Wt: 344.3
BDBM14223
Wt: 334.3
BDBM14224
Wt: 286.6
BDBM14226
Wt: 266.2
BDBM14227
Wt: 302.3
BDBM14228
Wt: 303.2
BDBM14229

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 14211,14214,14215,14216,14218,14219,14220,14221,14222,14223,14224,14226,14227,14228,14229   
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
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14228
PNG
(5-(carboxymethoxy)-3-thiatricyclo[7.4.0.0^{2,6}]tr...)
Show SMILES OC(=O)COc1c(sc2c1ccc1ccccc21)C(O)=O
Show InChI InChI=1S/C15H10O5S/c16-11(17)7-20-12-10-6-5-8-3-1-2-4-9(8)13(10)21-14(12)15(18)19/h1-6H,7H2,(H,16,17)(H,18,19)
PDB
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UniChem

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Article
PubMed
1.10E+4 -6.76n/an/an/an/an/an/a25



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem 14: 2162-77 (2006)


Article DOI: 10.1016/j.bmc.2005.11.005
BindingDB Entry DOI: 10.7270/Q289143K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14223
PNG
(3-(carboxymethoxy)-6-(4-hydroxyphenyl)-1-benzothio...)
Show SMILES OC(=O)COc1c(sc2cc(ccc12)-c1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C17H12O6S/c18-11-4-1-9(2-5-11)10-3-6-12-13(7-10)24-16(17(21)22)15(12)23-8-14(19)20/h1-7,18H,8H2,(H,19,20)(H,21,22)
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Article
PubMed
2.60E+4 -6.19n/an/an/an/an/a7.022



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem 14: 2162-77 (2006)


Article DOI: 10.1016/j.bmc.2005.11.005
BindingDB Entry DOI: 10.7270/Q289143K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14224
PNG
(3-(carboxymethoxy)-6-(thiophen-2-yl)-1-benzothioph...)
Show SMILES OC(=O)COc1c(sc2cc(ccc12)-c1cccs1)C(O)=O
Show InChI InChI=1S/C15H10O5S2/c16-12(17)7-20-13-9-4-3-8(10-2-1-5-21-10)6-11(9)22-14(13)15(18)19/h1-6H,7H2,(H,16,17)(H,18,19)
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Article
PubMed
3.00E+4 -6.10n/an/an/an/an/a7.022



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem 14: 2162-77 (2006)


Article DOI: 10.1016/j.bmc.2005.11.005
BindingDB Entry DOI: 10.7270/Q289143K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14227
PNG
(3-(carboxymethoxy)-7-methyl-1-benzothiophene-2-car...)
Show SMILES Cc1cccc2c(OCC(O)=O)c(sc12)C(O)=O
Show InChI InChI=1S/C12H10O5S/c1-6-3-2-4-7-9(17-5-8(13)14)11(12(15)16)18-10(6)7/h2-4H,5H2,1H3,(H,13,14)(H,15,16)
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Article
PubMed
3.70E+4 -6.04n/an/an/an/an/an/a25



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem 14: 2162-77 (2006)


Article DOI: 10.1016/j.bmc.2005.11.005
BindingDB Entry DOI: 10.7270/Q289143K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14221
PNG
(6-bromo-3-(carboxymethoxy)-1-benzothiophene-2-carb...)
Show SMILES OC(=O)COc1c(sc2cc(Br)ccc12)C(O)=O
Show InChI InChI=1S/C11H7BrO5S/c12-5-1-2-6-7(3-5)18-10(11(15)16)9(6)17-4-8(13)14/h1-3H,4H2,(H,13,14)(H,15,16)
PDB
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Article
PubMed
4.20E+4 -5.91n/an/an/an/an/a7.022



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem 14: 2162-77 (2006)


Article DOI: 10.1016/j.bmc.2005.11.005
BindingDB Entry DOI: 10.7270/Q289143K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14220
PNG
(3-[carboxy(fluoro)methoxy]-6-chloro-1-benzothiophe...)
Show SMILES OC(=O)C(F)Oc1c(sc2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1S/C11H6ClFO5S/c12-4-1-2-5-6(3-4)19-8(10(14)15)7(5)18-9(13)11(16)17/h1-3,9H,(H,14,15)(H,16,17)
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Article
PubMed
5.20E+4 -5.78n/an/an/an/an/a7.022



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem 14: 2162-77 (2006)


Article DOI: 10.1016/j.bmc.2005.11.005
BindingDB Entry DOI: 10.7270/Q289143K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14218
PNG
(3-(carboxymethoxy)-6-chloro-1-benzothiophene-2-car...)
Show SMILES OC(=O)COc1c(sc2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1S/C11H7ClO5S/c12-5-1-2-6-7(3-5)18-10(11(15)16)9(6)17-4-8(13)14/h1-3H,4H2,(H,13,14)(H,15,16)
PDB
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Article
PubMed
6.10E+4 -5.69n/an/an/an/an/a7.022



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem 14: 2162-77 (2006)


Article DOI: 10.1016/j.bmc.2005.11.005
BindingDB Entry DOI: 10.7270/Q289143K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14216
PNG
(3-(carboxymethoxy)thieno[3,2-b]pyridine-2-carboxyl...)
Show SMILES OC(=O)COc1c(sc2cccnc12)C(O)=O
Show InChI InChI=1S/C10H7NO5S/c12-6(13)4-16-8-7-5(2-1-3-11-7)17-9(8)10(14)15/h1-3H,4H2,(H,12,13)(H,14,15)
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Article
PubMed
7.70E+4 -5.55n/an/an/an/an/a7.022



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem 14: 2162-77 (2006)


Article DOI: 10.1016/j.bmc.2005.11.005
BindingDB Entry DOI: 10.7270/Q289143K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14226
PNG
(3-(carboxymethoxy)-7-chloro-1-benzothiophene-2-car...)
Show SMILES OC(=O)COc1c(sc2c(Cl)cccc12)C(O)=O
Show InChI InChI=1S/C11H7ClO5S/c12-6-3-1-2-5-8(17-4-7(13)14)10(11(15)16)18-9(5)6/h1-3H,4H2,(H,13,14)(H,15,16)
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Article
PubMed
1.19E+5 -5.35n/an/an/an/an/an/a25



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem 14: 2162-77 (2006)


Article DOI: 10.1016/j.bmc.2005.11.005
BindingDB Entry DOI: 10.7270/Q289143K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14222
PNG
(3-(carboxymethoxy)-6-phenyl-1-benzothiophene-2-car...)
Show SMILES OC(=O)COc1c(sc2cc(ccc12)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C17H12O5S/c18-14(19)9-22-15-12-7-6-11(10-4-2-1-3-5-10)8-13(12)23-16(15)17(20)21/h1-8H,9H2,(H,18,19)(H,20,21)
PDB
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Article
PubMed
1.28E+5 -5.25n/an/an/an/an/a7.022



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem 14: 2162-77 (2006)


Article DOI: 10.1016/j.bmc.2005.11.005
BindingDB Entry DOI: 10.7270/Q289143K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14214
PNG
(3-(carboxymethoxy)-1-benzothiophene-2-carboxylic a...)
Show SMILES OC(=O)COc1c(sc2ccccc12)C(O)=O
Show InChI InChI=1S/C11H8O5S/c12-8(13)5-16-9-6-3-1-2-4-7(6)17-10(9)11(14)15/h1-4H,5H2,(H,12,13)(H,14,15)
PDB
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Article
PubMed
1.60E+5 -5.12n/an/an/an/an/a7.022



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem 14: 2162-77 (2006)


Article DOI: 10.1016/j.bmc.2005.11.005
BindingDB Entry DOI: 10.7270/Q289143K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14211
PNG
(3-(carboxymethoxy)thieno[2,3-b]pyridine-2-carboxyl...)
Show SMILES OC(=O)COc1c(sc2ncccc12)C(O)=O
Show InChI InChI=1S/C10H7NO5S/c12-6(13)4-16-7-5-2-1-3-11-9(5)17-8(7)10(14)15/h1-3H,4H2,(H,12,13)(H,14,15)
PDB
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PDB
Article
PubMed
2.30E+5 -4.91n/an/an/an/an/a7.422



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem 14: 2162-77 (2006)


Article DOI: 10.1016/j.bmc.2005.11.005
BindingDB Entry DOI: 10.7270/Q289143K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14229
PNG
(5-(carboxymethoxy)-3-thia-8-azatricyclo[7.4.0.0^{2...)
Show SMILES OC(=O)COc1c(sc2c1cnc1ccccc21)C(O)=O
Show InChI InChI=1S/C14H9NO5S/c16-10(17)6-20-11-8-5-15-9-4-2-1-3-7(9)12(8)21-13(11)14(18)19/h1-5H,6H2,(H,16,17)(H,18,19)
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PubMed
>5.00E+5>-4.50n/an/an/an/an/an/a25



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem 14: 2162-77 (2006)


Article DOI: 10.1016/j.bmc.2005.11.005
BindingDB Entry DOI: 10.7270/Q289143K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14219
PNG
(3-(1-carboxyethoxy)-6-chloro-1-benzothiophene-2-ca...)
Show SMILES CC(Oc1c(sc2cc(Cl)ccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C12H9ClO5S/c1-5(11(14)15)18-9-7-3-2-6(13)4-8(7)19-10(9)12(16)17/h2-5H,1H3,(H,14,15)(H,16,17)
PDB
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Article
PubMed
>2.50E+6>-3.51n/an/an/an/an/a7.022



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem 14: 2162-77 (2006)


Article DOI: 10.1016/j.bmc.2005.11.005
BindingDB Entry DOI: 10.7270/Q289143K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14215
PNG
(3-(carboxymethoxy)-6-methylthieno[3,2-c]pyridine-2...)
Show SMILES Cc1cc2sc(C(O)=O)c(OCC(O)=O)c2cn1
Show InChI InChI=1S/C11H9NO5S/c1-5-2-7-6(3-12-5)9(17-4-8(13)14)10(18-7)11(15)16/h2-3H,4H2,1H3,(H,13,14)(H,15,16)
PDB
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Article
PubMed
>2.50E+6>-3.51n/an/an/an/an/a7.022



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem 14: 2162-77 (2006)


Article DOI: 10.1016/j.bmc.2005.11.005
BindingDB Entry DOI: 10.7270/Q289143K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)