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PubMed code 17489632

Compile data set for download or QSAR
Found 15 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


(Homo sapiens (human))
BDBM50148911
PNG
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
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PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 70: 1039-42 (2007)


Article DOI: 10.1021/np060477+
BindingDB Entry DOI: 10.7270/Q2KH0P5K
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50104694
PNG
((R)-4-hydroxy-5-(hydroxymethyl)-3-palmitoylfuran-2...)
Show SMILES CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CO)c1O
Show InChI InChI=1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25/h22,24-25H,2-16H2,1H3
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PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 70: 1039-42 (2007)


Article DOI: 10.1021/np060477+
BindingDB Entry DOI: 10.7270/Q2KH0P5K
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50212398
PNG
(CHEMBL229222 | sigmoidin F)
Show SMILES CC(C)=CCc1c(O)c2OC(C)(C)C=Cc2cc1[C@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C25H26O6/c1-13(2)5-6-16-17(9-14-7-8-25(3,4)31-24(14)23(16)29)20-12-19(28)22-18(27)10-15(26)11-21(22)30-20/h5,7-11,20,26-27,29H,6,12H2,1-4H3/t20-/m1/s1
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n/an/a 1.42E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 70: 1039-42 (2007)


Article DOI: 10.1021/np060477+
BindingDB Entry DOI: 10.7270/Q2KH0P5K
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50212392
PNG
(CHEMBL229506 | sigmoidin A)
Show SMILES CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)c(CC=C(C)C)c(O)c1O
Show InChI InChI=1S/C25H28O6/c1-13(2)5-7-15-9-18(17(8-6-14(3)4)25(30)24(15)29)21-12-20(28)23-19(27)10-16(26)11-22(23)31-21/h5-6,9-11,21,26-27,29-30H,7-8,12H2,1-4H3/t21-/m0/s1
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PubMed
n/an/a 1.44E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 70: 1039-42 (2007)


Article DOI: 10.1021/np060477+
BindingDB Entry DOI: 10.7270/Q2KH0P5K
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50212393
PNG
(CHEMBL229220 | abyssinoflavanone VII)
Show SMILES CC(C)=CCc1cc(cc(CC(O)C(C)=C)c1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C25H28O6/c1-13(2)5-6-15-7-16(8-17(25(15)30)9-19(27)14(3)4)22-12-21(29)24-20(28)10-18(26)11-23(24)31-22/h5,7-8,10-11,19,22,26-28,30H,3,6,9,12H2,1-2,4H3/t19?,22-/m0/s1
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PubMed
n/an/a 1.57E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 70: 1039-42 (2007)


Article DOI: 10.1021/np060477+
BindingDB Entry DOI: 10.7270/Q2KH0P5K
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50212400
PNG
(1-(2,4-Dihydroxyphenyl)-3-[4-hydroxy-3-(3-methylbu...)
Show SMILES CC(C)=CCc1cc(\C=C\C(=O)c2ccc(O)cc2O)ccc1O
Show InChI InChI=1S/C20H20O4/c1-13(2)3-6-15-11-14(4-9-18(15)22)5-10-19(23)17-8-7-16(21)12-20(17)24/h3-5,7-12,21-22,24H,6H2,1-2H3/b10-5+
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PubMed
n/an/a 1.69E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 70: 1039-42 (2007)


Article DOI: 10.1021/np060477+
BindingDB Entry DOI: 10.7270/Q2KH0P5K
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50212397
PNG
(CHEMBL388722 | abyssinin II)
Show SMILES COc1cc(cc(CC=C(C)C)c1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C21H22O6/c1-11(2)4-5-12-6-13(7-19(26-3)21(12)25)17-10-16(24)20-15(23)8-14(22)9-18(20)27-17/h4,6-9,17,22-23,25H,5,10H2,1-3H3/t17-/m0/s1
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n/an/a 1.73E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 70: 1039-42 (2007)


Article DOI: 10.1021/np060477+
BindingDB Entry DOI: 10.7270/Q2KH0P5K
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50212390
PNG
(CHEMBL389736 | abyssinin I)
Show SMILES COc1cc(cc2C=CC(C)(C)Oc12)C1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C21H20O6/c1-21(2)5-4-11-6-12(7-18(25-3)20(11)27-21)16-10-15(24)19-14(23)8-13(22)9-17(19)26-16/h4-9,16,22-23H,10H2,1-3H3
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PubMed
n/an/a 1.82E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 70: 1039-42 (2007)


Article DOI: 10.1021/np060477+
BindingDB Entry DOI: 10.7270/Q2KH0P5K
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50212389
PNG
(CHEMBL389650 | abyssinoflavanone VI)
Show SMILES CC(C)=CCc1cc(cc2ccoc12)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C22H20O5/c1-12(2)3-4-13-7-15(8-14-5-6-26-22(13)14)19-11-18(25)21-17(24)9-16(23)10-20(21)27-19/h3,5-10,19,23-24H,4,11H2,1-2H3/t19-/m0/s1
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n/an/a 1.89E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 70: 1039-42 (2007)


Article DOI: 10.1021/np060477+
BindingDB Entry DOI: 10.7270/Q2KH0P5K
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50212391
PNG
(5-deoxyabyssinin II | CHEMBL229670)
Show SMILES COc1cc(cc(CC=C(C)C)c1O)[C@@H]1CC(=O)c2ccc(O)cc2O1
Show InChI InChI=1S/C21H22O5/c1-12(2)4-5-13-8-14(9-20(25-3)21(13)24)18-11-17(23)16-7-6-15(22)10-19(16)26-18/h4,6-10,18,22,24H,5,11H2,1-3H3/t18-/m0/s1
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PubMed
n/an/a 1.92E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 70: 1039-42 (2007)


Article DOI: 10.1021/np060477+
BindingDB Entry DOI: 10.7270/Q2KH0P5K
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50212399
PNG
(CHEMBL229454 | sigmoidin B)
Show SMILES CC(C)=CCc1cc(cc(O)c1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C20H20O6/c1-10(2)3-4-11-5-12(6-16(24)20(11)25)17-9-15(23)19-14(22)7-13(21)8-18(19)26-17/h3,5-8,17,21-22,24-25H,4,9H2,1-2H3/t17-/m0/s1
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n/an/a 1.94E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 70: 1039-42 (2007)


Article DOI: 10.1021/np060477+
BindingDB Entry DOI: 10.7270/Q2KH0P5K
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50370984
PNG
(Abyssinone Vi | CHEMBL508727)
Show SMILES CC(C)=CCc1cc(\C=C\C(=O)c2ccc(O)cc2O)cc(CC=C(C)C)c1O
Show InChI InChI=1S/C25H28O4/c1-16(2)5-8-19-13-18(14-20(25(19)29)9-6-17(3)4)7-12-23(27)22-11-10-21(26)15-24(22)28/h5-7,10-15,26,28-29H,8-9H2,1-4H3/b12-7+
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PubMed
n/an/a 2.06E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 70: 1039-42 (2007)


Article DOI: 10.1021/np060477+
BindingDB Entry DOI: 10.7270/Q2KH0P5K
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50212401
PNG
(3'-prenylnaringenin | CHEMBL229671)
Show SMILES CC(C)=CCc1cc(ccc1O)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C20H18O5/c1-11(2)3-4-12-7-13(5-6-15(12)22)18-10-17(24)20-16(23)8-14(21)9-19(20)25-18/h3,5-10,21-23H,4H2,1-2H3
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n/an/a 2.67E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 70: 1039-42 (2007)


Article DOI: 10.1021/np060477+
BindingDB Entry DOI: 10.7270/Q2KH0P5K
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50212396
PNG
(CHEMBL229617 | sigmoidin C)
Show SMILES CC1(C)Oc2c(O)cc(cc2C=C1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C20H18O6/c1-20(2)4-3-10-5-11(6-15(24)19(10)26-20)16-9-14(23)18-13(22)7-12(21)8-17(18)25-16/h3-8,16,21-22,24H,9H2,1-2H3/t16-/m0/s1
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n/an/a>6.00E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 70: 1039-42 (2007)


Article DOI: 10.1021/np060477+
BindingDB Entry DOI: 10.7270/Q2KH0P5K
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50212394
PNG
(2S-5,7-dihydroxy-2'',2''-dimethylpyrano[5'',6'':3'...)
Show SMILES CC1(C)Oc2ccc(cc2C=C1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C20H18O5/c1-20(2)6-5-12-7-11(3-4-16(12)25-20)17-10-15(23)19-14(22)8-13(21)9-18(19)24-17/h3-9,17,21-22H,10H2,1-2H3/t17-/m0/s1
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n/an/a>6.00E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 70: 1039-42 (2007)


Article DOI: 10.1021/np060477+
BindingDB Entry DOI: 10.7270/Q2KH0P5K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%