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PubMed code 16545563

Compile data set for download or QSAR
Found 9 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
Tyrosine-protein phosphatase non-receptor type 1


(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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n/an/a 4.5n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B

Bioorg Med Chem Lett 16: 3061-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.053
BindingDB Entry DOI: 10.7270/Q29024KF
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50184543
PNG
(16-alphaH,17-isovaleryloxy-ent-kauran-19-oic acid ...)
Show SMILES CC(C)CC(=O)OC[C@H]1C[C@]23C[C@H]1CCC2[C@]1(C)CCC[C@](C)(C1CC3)C(O)=O
Show InChI InChI=1S/C25H40O4/c1-16(2)12-21(26)29-15-18-14-25-11-8-19-23(3,20(25)7-6-17(18)13-25)9-5-10-24(19,4)22(27)28/h16-20H,5-15H2,1-4H3,(H,27,28)/t17?,18-,19?,20?,23-,24-,25+/m1/s1
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n/an/a 7.10E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B

Bioorg Med Chem Lett 16: 3061-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.053
BindingDB Entry DOI: 10.7270/Q29024KF
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50370742
PNG
(KAURENOIC ACID)
Show SMILES C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@H](CC[C@@H]21)C(=C)C3)C(O)=O |r|
Show InChI InChI=1S/C20H30O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h14-16H,1,4-12H2,2-3H3,(H,21,22)/t14?,15-,16-,18+,19+,20+/m0/s1
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n/an/a 2.02E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B

Bioorg Med Chem Lett 16: 3061-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.053
BindingDB Entry DOI: 10.7270/Q29024KF
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50097211
PNG
((1R,4aR,7S)-1,4a,7-Trimethyl-7-vinyl-1,2,3,4,4a,6,...)
Show SMILES C[C@@]1(CC=C2C(CCC3[C@@](C)(CCC[C@@]23C)C(O)=O)C1)C=C |c:3|
Show InChI InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,9,14,16H,1,6-8,10-13H2,2-4H3,(H,21,22)/t14?,16?,18-,19-,20+/m0/s1
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n/an/a 2.35E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B

Bioorg Med Chem Lett 16: 3061-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.053
BindingDB Entry DOI: 10.7270/Q29024KF
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50097212
PNG
(((1R,4aR,7S)-1,4a,7-Trimethyl-7-vinyl-1,2,3,4,4a,6...)
Show SMILES C[C@@]1(CC=C2C(CCC3[C@](C)(CO)CCC[C@@]23C)C1)C=C |c:3|
Show InChI InChI=1S/C20H32O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,9,15,17,21H,1,6-8,10-14H2,2-4H3/t15?,17?,18-,19-,20-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B

Bioorg Med Chem Lett 16: 3061-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.053
BindingDB Entry DOI: 10.7270/Q29024KF
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50184545
PNG
(16-alpha-hydroxy-17-isovaleryloxy-ent-kauran-19-oi...)
Show SMILES CC(C)CC(=O)OC[C@@]1(O)C[C@]23C[C@H]1CCC2[C@]1(C)CCC[C@](C)(C1CC3)C(O)=O
Show InChI InChI=1S/C25H40O5/c1-16(2)12-20(26)30-15-25(29)14-24-11-8-18-22(3,19(24)7-6-17(25)13-24)9-5-10-23(18,4)21(27)28/h16-19,29H,5-15H2,1-4H3,(H,27,28)/t17?,18?,19?,22-,23-,24+,25+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B

Bioorg Med Chem Lett 16: 3061-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.053
BindingDB Entry DOI: 10.7270/Q29024KF
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50184544
PNG
(16-alpha-hydroxy-ent-kauran-19-oic acid | CHEMBL20...)
Show SMILES C[C@@]1(O)C[C@]23C[C@H]1CCC2[C@]1(C)CCC[C@](C)(C1CC3)C(O)=O
Show InChI InChI=1S/C20H32O3/c1-17-8-4-9-18(2,16(21)22)14(17)7-10-20-11-13(5-6-15(17)20)19(3,23)12-20/h13-15,23H,4-12H2,1-3H3,(H,21,22)/t13?,14?,15?,17-,18-,19-,20+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B

Bioorg Med Chem Lett 16: 3061-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.053
BindingDB Entry DOI: 10.7270/Q29024KF
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50184546
PNG
(CHEMBL207043 | acanthokoreoic acid A)
Show SMILES C[C@]1(CC[C@@]2(O)[C@@H](C1)C(=O)CC1[C@@](C)(CCC[C@@]21C)C(O)=O)C=C
Show InChI InChI=1S/C20H30O4/c1-5-17(2)9-10-20(24)13(12-17)14(21)11-15-18(3,16(22)23)7-6-8-19(15,20)4/h5,13,15,24H,1,6-12H2,2-4H3,(H,22,23)/t13-,15?,17+,18+,19+,20+/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B

Bioorg Med Chem Lett 16: 3061-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.053
BindingDB Entry DOI: 10.7270/Q29024KF
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50184547
PNG
(7-beta-hydroxy-ent-pimara-8(14),15-dien-19-oic aci...)
Show SMILES C[C@@]1(CCC2C(=C1)[C@@H](O)CC1[C@@]2(C)CCC[C@@]1(C)C(O)=O)C=C |c:5|
Show InChI InChI=1S/C20H30O3/c1-5-18(2)10-7-14-13(12-18)15(21)11-16-19(14,3)8-6-9-20(16,4)17(22)23/h5,12,14-16,21H,1,6-11H2,2-4H3,(H,22,23)/t14?,15-,16?,18-,19-,20+/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B

Bioorg Med Chem Lett 16: 3061-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.053
BindingDB Entry DOI: 10.7270/Q29024KF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%