Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50032369 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50241453
(1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c1-[#8] Show InChI InChI=1S/C23H24O6/c1-11(2)5-7-13-15(24)9-18-20(22(13)27)23(28)19-14(8-6-12(3)4)21(26)16(25)10-17(19)29-18/h5-6,9-10,24-27H,7-8H2,1-4H3 | PDB
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CHEMBL
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| Article
PubMed
| n/a | n/a | 1.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of FAS |
Bioorg Med Chem Lett 20: 6045-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.061
BindingDB Entry DOI: 10.7270/Q2TT4R6N |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50242205
(CHEMBL454580 | cid_10298511 | garcinone E)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c1-[#8] Show InChI InChI=1S/C28H32O6/c1-14(2)7-10-17-20(29)13-21-23(24(17)30)27(33)22-18(11-8-15(3)4)25(31)26(32)19(28(22)34-21)12-9-16(5)6/h7-9,13,29-32H,10-12H2,1-6H3 | PDB
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CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of FAS |
Bioorg Med Chem Lett 20: 6045-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.061
BindingDB Entry DOI: 10.7270/Q2TT4R6N |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50214969
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 | PDB
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CHEMBL
MCE
KEGG
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 5.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of FAS |
Bioorg Med Chem Lett 20: 6045-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.061
BindingDB Entry DOI: 10.7270/Q2TT4R6N |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50327909
(2,4,6,3',5'-pentahydroxybenzophenone | CHEMBL12563...)Show InChI InChI=1S/C13H10O6/c14-7-1-6(2-8(15)3-7)13(19)12-10(17)4-9(16)5-11(12)18/h1-5,14-18H | PDB
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 8.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of FAS |
Bioorg Med Chem Lett 20: 6045-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.061
BindingDB Entry DOI: 10.7270/Q2TT4R6N |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50327908
(3,4,5,3'-tetrahydroxybenzophenone | CHEMBL1256379)Show InChI InChI=1S/C13H10O5/c14-9-3-1-2-7(4-9)12(17)8-5-10(15)13(18)11(16)6-8/h1-6,14-16,18H | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.48E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of FAS |
Bioorg Med Chem Lett 20: 6045-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.061
BindingDB Entry DOI: 10.7270/Q2TT4R6N |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50155447
(1,3,6,7-Tetrahydroxy-xanthen-9-one | 1,3,6,7-tetra...)Show InChI InChI=1S/C13H8O6/c14-5-1-9(17)12-11(2-5)19-10-4-8(16)7(15)3-6(10)13(12)18/h1-4,14-17H | PDB
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CHEMBL
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PC cid
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| Article
PubMed
| n/a | n/a | 1.79E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of FAS |
Bioorg Med Chem Lett 20: 6045-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.061
BindingDB Entry DOI: 10.7270/Q2TT4R6N |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50241454
(1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methylbut-2-...)Show SMILES [#6]-[#8]-c1cc2oc3cc(-[#8])c(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C25H28O6/c1-13(2)7-9-15-18(29-5)12-20-22(23(15)27)24(28)21-16(10-8-14(3)4)25(30-6)17(26)11-19(21)31-20/h7-8,11-12,26-27H,9-10H2,1-6H3 | PDB
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CHEMBL
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PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 2.48E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of FAS |
Bioorg Med Chem Lett 20: 6045-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.061
BindingDB Entry DOI: 10.7270/Q2TT4R6N |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50311741
(1,6-dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-6',...)Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc4-[#8]C([#6])([#6])[#6]=[#6]-c4c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] |c:15| Show InChI InChI=1S/C24H24O6/c1-12(2)6-7-14-19-17(10-15(25)23(14)28-5)29-18-11-16-13(8-9-24(3,4)30-16)21(26)20(18)22(19)27/h6,8-11,25-26H,7H2,1-5H3 | PDB
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CHEMBL
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PC cid
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| Article
PubMed
| n/a | n/a | 4.06E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of FAS |
Bioorg Med Chem Lett 20: 6045-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.061
BindingDB Entry DOI: 10.7270/Q2TT4R6N |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50155446
(1,3,7-Trihydroxy xanthone (3) | 1,3,7-Trihydroxy-x...)Show InChI InChI=1S/C13H8O5/c14-6-1-2-10-8(3-6)13(17)12-9(16)4-7(15)5-11(12)18-10/h1-5,14-16H | PDB
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CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | 4.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of FAS |
Bioorg Med Chem Lett 20: 6045-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.061
BindingDB Entry DOI: 10.7270/Q2TT4R6N |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50327910
(CHEMBL1257642 | neosmitilbin)Show SMILES C[C@@H]1O[C@@H](O[C@H]2[C@@H](Oc3cc(O)cc(O)c3C2=O)c2cc(O)cc(O)c2)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H22O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-11(24)6-13(14)31-19(20)8-2-9(22)4-10(23)3-8/h2-7,15,17-26,28-29H,1H3/t7-,15-,17+,18+,19-,20+,21-/m0/s1 | PDB
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| CHEMBL
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PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 4.92E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of FAS |
Bioorg Med Chem Lett 20: 6045-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.061
BindingDB Entry DOI: 10.7270/Q2TT4R6N |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50070942
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1 | PDB
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CHEMBL
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| Article
PubMed
| n/a | n/a | 5.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of FAS |
Bioorg Med Chem Lett 20: 6045-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.061
BindingDB Entry DOI: 10.7270/Q2TT4R6N |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50327911
(3-(2-(benzo[d][1,3]dioxol-5-yl)-7-methoxybenzofura...)Show InChI InChI=1S/C19H18O5/c1-21-18-8-12(3-2-6-20)7-14-10-16(24-19(14)18)13-4-5-15-17(9-13)23-11-22-15/h4-5,7-10,20H,2-3,6,11H2,1H3 | PDB
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 9.11E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of FAS |
Bioorg Med Chem Lett 20: 6045-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.061
BindingDB Entry DOI: 10.7270/Q2TT4R6N |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50135167
((+)-epicatechin | (-) epicatechine | (2S,3S)-2-(3,...)Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1 |r| 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-/m0/s1 | PDB
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CHEMBL
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| Article
PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of FAS at 1000 uM |
Bioorg Med Chem Lett 20: 6045-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.061
BindingDB Entry DOI: 10.7270/Q2TT4R6N |
More data for this
Ligand-Target Pair | |
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