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Compile Data Set for Download or QSAR

Found 11 hits of kd data for polymerid = 2622   
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


(Homo sapiens (Human))
BDBM48319
PNG
(4-amino-2-hydroxy-benzoic acid | 4-amino-2-hydroxy...)
Show SMILES Nc1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)
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n/an/an/a 1.20E+3n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Dissociation constant of the compound against protein tyrosine phosphatase PTB1B receptor was determined


J Med Chem 46: 4232-5 (2003)


Article DOI: 10.1021/jm034122o
BindingDB Entry DOI: 10.7270/Q2BP0264
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50098803
PNG
(CHEMBL3329937)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)CN)C(C)(C)C)[C@@H](C)CC)C(C)(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N1[C@@H](CSC1(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C70H110N18O20S/c1-14-35(3)51(62(102)83-53(37(5)89)61(101)74-31-48(91)88-46(32-109-70(88,12)13)60(100)79-42(26-38-29-72-33-75-38)57(97)77-40(20-22-49(92)93)56(96)78-41(67(107)108)21-23-50(94)95)81-65(105)55(69(9,10)11)85-63(103)52(36(4)15-2)82-64(104)54(68(6,7)8)84-59(99)45-19-17-25-87(45)66(106)43(27-39-30-73-34-76-39)80-58(98)44-18-16-24-86(44)47(90)28-71/h29-30,33-37,40-46,51-55,89H,14-28,31-32,71H2,1-13H3,(H,72,75)(H,73,76)(H,74,101)(H,77,97)(H,78,96)(H,79,100)(H,80,98)(H,81,105)(H,82,104)(H,83,102)(H,84,99)(H,85,103)(H,92,93)(H,94,95)(H,107,108)/t35-,36-,37+,40-,41-,42-,43-,44-,45-,46-,51-,52-,53-,54+,55+/m0/s1
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n/an/an/a 9.00E+3n/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity to PTP1B (unknown origin)


J Med Chem 57: 7792-7 (2014)


Article DOI: 10.1021/jm500743t
BindingDB Entry DOI: 10.7270/Q21G0P1G
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM13952
PNG
(2-(Naphthalen-1-yloxalylamino)benzoic Acid | 2-(na...)
Show SMILES OC(=O)C(=O)N(c1ccccc1C(O)=O)c1cccc2ccccc12
Show InChI InChI=1S/C19H13NO5/c21-17(19(24)25)20(16-10-4-3-9-14(16)18(22)23)15-11-5-7-12-6-1-2-8-13(12)15/h1-11H,(H,22,23)(H,24,25)
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n/an/an/a 2.60E+4n/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Dissociation constant for Protein-tyrosine phosphatase 1B


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM13951
PNG
(2-[(2,3-Dimethylphenyl)oxalylamino]benzoic acid | ...)
Show SMILES Cc1cccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c1C
Show InChI InChI=1S/C17H15NO5/c1-10-6-5-9-13(11(10)2)18(15(19)17(22)23)14-8-4-3-7-12(14)16(20)21/h3-9H,1-2H3,(H,20,21)(H,22,23)
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n/an/an/a 1.00E+5n/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Dissociation constant for Protein-tyrosine phosphatase 1B


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50133281
PNG
(5-(4-Bromo-phenyl)-isoxazole-3-carboxylic acid | C...)
Show SMILES OC(=O)c1cc(on1)-c1ccc(Br)cc1
Show InChI InChI=1S/C10H6BrNO3/c11-7-3-1-6(2-4-7)9-5-8(10(13)14)12-15-9/h1-5H,(H,13,14)
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n/an/an/a 8.00E+5n/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Dissociation constant for Protein-tyrosine phosphatase 1B


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50133281
PNG
(5-(4-Bromo-phenyl)-isoxazole-3-carboxylic acid | C...)
Show SMILES OC(=O)c1cc(on1)-c1ccc(Br)cc1
Show InChI InChI=1S/C10H6BrNO3/c11-7-3-1-6(2-4-7)9-5-8(10(13)14)12-15-9/h1-5H,(H,13,14)
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n/an/an/a 8.00E+5n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Dissociation constant of the compound against Protein-tyrosine phosphatase 1B receptor was determined


J Med Chem 46: 4232-5 (2003)


Article DOI: 10.1021/jm034122o
BindingDB Entry DOI: 10.7270/Q2BP0264
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50131549
PNG
(4-Amino-3-bromo-5-cyano-2-hydroxy-benzoic acid | C...)
Show SMILES Nc1c(Br)c(O)c(cc1C#N)C(O)=O
Show InChI InChI=1S/C8H5BrN2O3/c9-5-6(11)3(2-10)1-4(7(5)12)8(13)14/h1,12H,11H2,(H,13,14)
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n/an/an/a 9.10E+5n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Protein-tyrosine phosphatase 1B (PTP 1B) site 2 Ligands were identified using [13C]-labeled protein and their Dissociation Constants were determined


J Med Chem 46: 3437-40 (2003)


Article DOI: 10.1021/jm034088d
BindingDB Entry DOI: 10.7270/Q2WW7H1Z
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50149218
PNG
(Benzo[b]thiophene-2-carboxylic acid | CHEMBL312607)
Show SMILES OC(=O)c1cc2ccccc2s1
Show InChI InChI=1S/C9H6O2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)
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n/an/an/a>1.00E+6n/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Dissociation constant for Protein-tyrosine phosphatase 1B


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM48319
PNG
(4-amino-2-hydroxy-benzoic acid | 4-amino-2-hydroxy...)
Show SMILES Nc1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)
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n/an/an/a 1.20E+6n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Protein-tyrosine phosphatase 1B (PTP 1B) site 2 Ligands were identified using [13C]-labeled protein and their Dissociation Constants were determined


J Med Chem 46: 3437-40 (2003)


Article DOI: 10.1021/jm034088d
BindingDB Entry DOI: 10.7270/Q2WW7H1Z
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM48319
PNG
(4-amino-2-hydroxy-benzoic acid | 4-amino-2-hydroxy...)
Show SMILES Nc1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)
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n/an/an/a 1.20E+6n/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Dissociation constant for Protein-tyrosine phosphatase 1B


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50131554
PNG
(5-Hydroxy-6,8-dimethyl-quinoline-2-carboxylic acid...)
Show SMILES Cc1cc(C)c2nc(ccc2c1O)C(O)=O
Show InChI InChI=1S/C12H11NO3/c1-6-5-7(2)11(14)8-3-4-9(12(15)16)13-10(6)8/h3-5,14H,1-2H3,(H,15,16)
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n/an/an/a 1.56E+7n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Protein-tyrosine phosphatase 1B (PTP 1B) site 2 Ligands were identified using [13C]-labeled protein and their Dissociation Constants were determined


J Med Chem 46: 3437-40 (2003)


Article DOI: 10.1021/jm034088d
BindingDB Entry DOI: 10.7270/Q2WW7H1Z
More data for this
Ligand-Target Pair