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PubMed code 16870425

Compile data set for download or QSAR
Found 14 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
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50009248
PNG
((2R,3S)-3-((4E,7E)-Nona-4,7-dienoyl)-oxirane-2-car...)
Show SMILES C\C=C\C\C=C\CCC(=O)[C@H]1O[C@H]1C(N)=O
Show InChI InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+/t10-,11-/m1/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of FAS


Bioorg Med Chem Lett 16: 4738-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.018
BindingDB Entry DOI: 10.7270/Q2QV3NB7
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50191684
PNG
(CHEMBL213433 | flavaspidic acid-PB)
Show SMILES CCCC(=O)c1c(O)c(C)c(O)c(CC2C(=O)C(C(=O)CC)C(=O)C(C)(C)C2=O)c1O
Show InChI InChI=1S/C23H28O8/c1-6-8-14(25)15-18(27)10(3)17(26)11(19(15)28)9-12-20(29)16(13(24)7-2)22(31)23(4,5)21(12)30/h12,16,26-28H,6-9H2,1-5H3
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n/an/a 2.31E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of FAS


Bioorg Med Chem Lett 16: 4738-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.018
BindingDB Entry DOI: 10.7270/Q2QV3NB7
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50191686
PNG
(CHEMBL213124 | methylene-bis-methylphlorobutyrophe...)
Show SMILES CCCC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c(C)c(O)c(C(=O)CCC)c2O)c1O
Show InChI InChI=1S/C23H28O8/c1-5-7-14(24)16-20(28)10(3)18(26)12(22(16)30)9-13-19(27)11(4)21(29)17(23(13)31)15(25)8-6-2/h26-31H,5-9H2,1-4H3
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n/an/a 2.54E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of FAS


Bioorg Med Chem Lett 16: 4738-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.018
BindingDB Entry DOI: 10.7270/Q2QV3NB7
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50191687
PNG
(CHEMBL213384 | flavaspidic acid-AB)
Show SMILES CCCC(=O)c1c(O)c(C)c(O)c(CC2C(=O)C(C(C)=O)C(=O)C(C)(C)C2=O)c1O
Show InChI InChI=1S/C22H26O8/c1-6-7-13(24)15-17(26)9(2)16(25)11(18(15)27)8-12-19(28)14(10(3)23)21(30)22(4,5)20(12)29/h12,14,25-27H,6-8H2,1-5H3
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n/an/a 2.87E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of FAS


Bioorg Med Chem Lett 16: 4738-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.018
BindingDB Entry DOI: 10.7270/Q2QV3NB7
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50191690
PNG
(CHEMBL214860 | norflavaspidic acid-AB)
Show SMILES CCCC(=O)c1c(O)cc(O)c(CC2C(=O)C(C(C)=O)C(=O)C(C)(C)C2=O)c1O
Show InChI InChI=1S/C21H24O8/c1-5-6-12(23)16-14(25)8-13(24)10(17(16)26)7-11-18(27)15(9(2)22)20(29)21(3,4)19(11)28/h8,11,15,24-26H,5-7H2,1-4H3
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n/an/a 2.97E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of FAS


Bioorg Med Chem Lett 16: 4738-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.018
BindingDB Entry DOI: 10.7270/Q2QV3NB7
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50191683
PNG
(CHEMBL377474 | filixic acid-ABP)
Show SMILES CCCC(=O)c1c(O)c(CC2C(=O)C(C(C)=O)C(=O)C(C)(C)C2=O)c(O)c(CC2C(=O)C(C(=O)CC)C(=O)C(C)(C)C2=O)c1O
Show InChI InChI=1S/C33H38O12/c1-8-10-19(36)21-24(38)14(11-16-26(40)20(13(3)34)30(44)32(4,5)28(16)42)23(37)15(25(21)39)12-17-27(41)22(18(35)9-2)31(45)33(6,7)29(17)43/h16-17,20,22,37-39H,8-12H2,1-7H3
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n/an/a 3.10E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of FAS


Bioorg Med Chem Lett 16: 4738-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.018
BindingDB Entry DOI: 10.7270/Q2QV3NB7
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50191685
PNG
(CHEMBL213968 | aspidin-BB)
Show SMILES CCCC(=O)C1C(=O)C(Cc2c(O)c(C)c(OC)c(C(=O)CCC)c2O)C(=O)C(C)(C)C1=O
Show InChI InChI=1S/C25H32O8/c1-7-9-15(26)17-20(29)13(19(28)12(3)22(17)33-6)11-14-21(30)18(16(27)10-8-2)24(32)25(4,5)23(14)31/h14,18,28-29H,7-11H2,1-6H3
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n/an/a 3.26E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of FAS


Bioorg Med Chem Lett 16: 4738-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.018
BindingDB Entry DOI: 10.7270/Q2QV3NB7
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50191688
PNG
(CHEMBL214690 | aspidinol-B)
Show SMILES CCCC(=O)c1c(O)cc(OC)c(C)c1O
Show InChI InChI=1S/C12H16O4/c1-4-5-8(13)11-9(14)6-10(16-3)7(2)12(11)15/h6,14-15H,4-5H2,1-3H3
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n/an/a 4.91E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of FAS


Bioorg Med Chem Lett 16: 4738-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.018
BindingDB Entry DOI: 10.7270/Q2QV3NB7
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50191689
PNG
(CHEMBL424703 | albaspidin-PB)
Show SMILES CCCC(=O)C1C(=O)C(CC2C(=O)C(C(=O)CC)C(=O)C(C)(C)C2=O)C(=O)C(C)(C)C1=O
Show InChI InChI=1S/C24H30O8/c1-7-9-14(26)16-18(28)12(20(30)24(5,6)22(16)32)10-11-17(27)15(13(25)8-2)21(31)23(3,4)19(11)29/h11-12,15-16H,7-10H2,1-6H3
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PubMed
n/an/a 5.61E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of FAS


Bioorg Med Chem Lett 16: 4738-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.018
BindingDB Entry DOI: 10.7270/Q2QV3NB7
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50191682
PNG
(CHEMBL214119 | albaspidin-PP)
Show SMILES CCC(=O)C1C(=O)C(CC2C(=O)C(C(=O)CC)C(=O)C(C)(C)C2=O)C(=O)C(C)(C)C1=O
Show InChI InChI=1S/C23H28O8/c1-7-12(24)14-16(26)10(18(28)22(3,4)20(14)30)9-11-17(27)15(13(25)8-2)21(31)23(5,6)19(11)29/h10-11,14-15H,7-9H2,1-6H3
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PubMed
n/an/a 6.02E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of FAS


Bioorg Med Chem Lett 16: 4738-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.018
BindingDB Entry DOI: 10.7270/Q2QV3NB7
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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n/an/a 6.25E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of FAS


Bioorg Med Chem Lett 16: 4738-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.018
BindingDB Entry DOI: 10.7270/Q2QV3NB7
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50191691
PNG
(CHEMBL439501 | albaspidin-AP)
Show SMILES CCC(=O)C1C(=O)C(CC2C(=O)C(C(C)=O)C(=O)C(C)(C)C2=O)C(=O)C(C)(C)C1=O
Show InChI InChI=1S/C22H26O8/c1-7-12(24)14-16(26)11(18(28)22(5,6)20(14)30)8-10-15(25)13(9(2)23)19(29)21(3,4)17(10)27/h10-11,13-14H,7-8H2,1-6H3
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n/an/a 7.17E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of FAS


Bioorg Med Chem Lett 16: 4738-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.018
BindingDB Entry DOI: 10.7270/Q2QV3NB7
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50187668
PNG
(3-Hydroxyflavone | 3-Hydroxyflavone (12) | 3-hydro...)
Show SMILES Oc1c(oc2ccccc2c1=O)-c1ccccc1
Show InChI InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H
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n/an/a>1.00E+5n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of FAS


Bioorg Med Chem Lett 16: 4738-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.018
BindingDB Entry DOI: 10.7270/Q2QV3NB7
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM23417
PNG
(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Show SMILES O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of FAS


Bioorg Med Chem Lett 16: 4738-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.018
BindingDB Entry DOI: 10.7270/Q2QV3NB7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%