Compile Data Set for Download or QSAR

Found 101 hits with Last Name = 'richardson' and Initial = 'rd'   

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 [2202-2509] (Homo sapiens (Human))	BDBM24988 (1-(3-hexyl-4-oxooxetan-2-yl)tridecan-2-yl 2-formam...) Show SMILES CCCCCCCCCCCC(CC1OC(=O)C1CCCCCC)OC(=O)C(CC(C)C)NC=O Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	300	-38.7	n/a	n/a	n/a	n/a	n/a	7.5	37
Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				Mol Cancer Ther 6: 2120-6 (2007) Article DOI: 10.1158/1535-7163.MCT-07-0187 BindingDB Entry DOI: 10.7270/Q2F769V8
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24984 ((5E)-1-(3,5-dimethylphenyl)-5-[(5-phenylfuran-2-yl...) Show SMILES Cc1cc(C)cc(c1)N1C(=O)NC(=O)C(=Cc2ccc(o2)-c2ccccc2)C1=O |w:15.16| Show InChI InChI=1S/C23H18N2O4/c1-14-10-15(2)12-17(11-14)25-22(27)19(21(26)24-23(25)28)13-18-8-9-20(29-18)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,24,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	380	-38.1	n/a	n/a	n/a	n/a	n/a	7.5	37
Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				Mol Cancer Ther 6: 2120-6 (2007) Article DOI: 10.1158/1535-7163.MCT-07-0187 BindingDB Entry DOI: 10.7270/Q2F769V8
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24987 ((5E)-1-benzyl-5-{[5-(2-chlorophenyl)furan-2-yl]met...) Show SMILES Clc1ccccc1-c1ccc(\C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)o1 Show InChI InChI=1S/C22H15ClN2O4/c23-18-9-5-4-8-16(18)19-11-10-15(29-19)12-17-20(26)24-22(28)25(21(17)27)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,24,26,28)/b17-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	850	-36.0	n/a	n/a	n/a	n/a	n/a	7.5	37
Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				Mol Cancer Ther 6: 2120-6 (2007) Article DOI: 10.1158/1535-7163.MCT-07-0187 BindingDB Entry DOI: 10.7270/Q2F769V8
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24986 ((5E)-1-(3-bromophenyl)-5-{[5-(2-nitrophenyl)furan-...) Show SMILES [O-][N+](=O)c1ccccc1-c1ccc(C=C2C(=O)NC(=O)N(C2=O)c2cccc(Br)c2)o1 |w:13.13| Show InChI InChI=1S/C21H12BrN3O6/c22-12-4-3-5-13(10-12)24-20(27)16(19(26)23-21(24)28)11-14-8-9-18(31-14)15-6-1-2-7-17(15)25(29)30/h1-11H,(H,23,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	880	-36.0	n/a	n/a	n/a	n/a	n/a	7.5	37
Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				Mol Cancer Ther 6: 2120-6 (2007) Article DOI: 10.1158/1535-7163.MCT-07-0187 BindingDB Entry DOI: 10.7270/Q2F769V8
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24985 ((5E)-5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}...) Show SMILES Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(o2)-c2ccc(F)cc2)C1=O |w:14.15| Show InChI InChI=1S/C22H15FN2O4/c1-13-4-2-3-5-18(13)25-21(27)17(20(26)24-22(25)28)12-16-10-11-19(29-16)14-6-8-15(23)9-7-14/h2-12H,1H3,(H,24,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	910	-35.9	n/a	n/a	n/a	n/a	n/a	7.5	37
Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				Mol Cancer Ther 6: 2120-6 (2007) Article DOI: 10.1158/1535-7163.MCT-07-0187 BindingDB Entry DOI: 10.7270/Q2F769V8
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24572 ((2R)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]heptan-2-...) Show SMILES CCCCCC[C@H]1[C@H](C[C@@H](CCCCC)OC(=O)CNC=O)OC1=O |r| Show InChI InChI=1S/C19H33NO5/c1-3-5-7-9-11-16-17(25-19(16)23)12-15(10-8-6-4-2)24-18(22)13-20-14-21/h14-17H,3-13H2,1-2H3,(H,20,21)/t15-,16+,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24573 ((2S,5E)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridec...) Show SMILES CCCCCCC\C=C\CC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r| Show InChI InChI=1S/C29H51NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h14-15,22-27H,5-13,16-21H2,1-4H3,(H,30,31)/b15-14+/t24-,25-,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50242245 (CHEMBL4081658) Show SMILES CCC[C@H]1[C@@H](OC1=O)C(=O)NCCC[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C30H37N3O8/c1-3-11-23-25(41-28(23)36)27(35)31-17-10-16-24(29(37)39-18-21-12-6-4-7-13-21)33-26(34)20(2)32-30(38)40-19-22-14-8-5-9-15-22/h4-9,12-15,20,23-25H,3,10-11,16-19H2,1-2H3,(H,31,35)(H,32,38)(H,33,34)/t20-,23-,24-,25+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of FAS thioster domain (unknown origin)				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50242221 (CHEMBL4084033) Show SMILES CCCCCC[C@H]1[C@@H](OC1=O)C(=O)NCCC[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C33H43N3O8/c1-3-4-5-12-18-26-28(44-31(26)39)30(38)34-20-13-19-27(32(40)42-21-24-14-8-6-9-15-24)36-29(37)23(2)35-33(41)43-22-25-16-10-7-11-17-25/h6-11,14-17,23,26-28H,3-5,12-13,18-22H2,1-2H3,(H,34,38)(H,35,41)(H,36,37)/t23-,26-,27-,28+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of FAS thioster domain (unknown origin)				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50242243 (CHEMBL4059718) Show SMILES CC(C)C[C@H]1[C@@H](OC1=O)C(=O)NCCC[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C31H39N3O8/c1-20(2)17-24-26(42-29(24)37)28(36)32-16-10-15-25(30(38)40-18-22-11-6-4-7-12-22)34-27(35)21(3)33-31(39)41-19-23-13-8-5-9-14-23/h4-9,11-14,20-21,24-26H,10,15-19H2,1-3H3,(H,32,36)(H,33,39)(H,34,35)/t21-,24-,25-,26+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of FAS thioster domain (unknown origin)				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24574 ((2R)-1-[(2S,3R)-3-hexyl-4-oxooxetan-2-yl]tridecan-...) Show SMILES CCCCCCCCCCC[C@H](C[C@@H]1OC(=O)[C@@H]1CCCCCC)OC(=O)CNC=O |r| Show InChI InChI=1S/C25H45NO5/c1-3-5-7-9-10-11-12-13-14-16-21(30-24(28)19-26-20-27)18-23-22(25(29)31-23)17-15-8-6-4-2/h20-23H,3-19H2,1-2H3,(H,26,27)/t21-,22-,23+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24575 ((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]pentadeca...) Show SMILES CCCCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)CNC=O |r| Show InChI InChI=1S/C27H49NO5/c1-3-5-7-9-10-11-12-13-14-15-16-18-23(32-26(30)21-28-22-29)20-25-24(27(31)33-25)19-17-8-6-4-2/h22-25H,3-21H2,1-2H3,(H,28,29)/t23-,24-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24569 ((1R)-1-{[(2S,3S)-3-ethyl-4-oxooxetan-2-yl]methyl}d...) Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CC)OC(=O)CNC=O |r| Show InChI InChI=1S/C21H37NO5/c1-3-5-6-7-8-9-10-11-12-13-17(26-20(24)15-22-16-23)14-19-18(4-2)21(25)27-19/h16-19H,3-15H2,1-2H3,(H,22,23)/t17-,18-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50242232 (CHEMBL4071106) Show SMILES CCCCCC[C@H]1[C@@H](OC1=O)C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccc(cc1)C#C |r| Show InChI InChI=1S/C36H45N3O8/c1-4-6-7-11-16-29-31(47-35(29)43)33(41)37-22-13-12-17-30(39-36(44)46-24-27-14-9-8-10-15-27)32(40)38-25(3)34(42)45-23-28-20-18-26(5-2)19-21-28/h2,8-10,14-15,18-21,25,29-31H,4,6-7,11-13,16-17,22-24H2,1,3H3,(H,37,41)(H,38,40)(H,39,44)/t25-,29-,30-,31+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of 20S proteasome in human red blood cells pretreated for 20 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substr...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24570 ((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]hex-5-en-...) Show SMILES CCCCCC[C@H]1[C@H](C[C@H](CCC=C)OC(=O)[C@H](CC(C)C)NC=O)OC1=O |r| Show InChI InChI=1S/C22H37NO5/c1-5-7-9-10-12-18-20(28-21(18)25)14-17(11-8-6-2)27-22(26)19(23-15-24)13-16(3)4/h6,15-20H,2,5,7-14H2,1,3-4H3,(H,23,24)/t17-,18-,19-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24576 ((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]pentadeca...) Show SMILES CCCCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](Cc1ccccc1)NC=O |r| Show InChI InChI=1S/C34H55NO5/c1-3-5-7-9-10-11-12-13-14-15-19-23-29(26-32-30(33(37)40-32)24-20-8-6-4-2)39-34(38)31(35-27-36)25-28-21-17-16-18-22-28/h16-18,21-22,27,29-32H,3-15,19-20,23-26H2,1-2H3,(H,35,36)/t29-,30-,31-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24571 ((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]heptan-2-...) Show SMILES CCCCCC[C@H]1[C@H](C[C@H](CCCCC)OC(=O)[C@@H](NC=O)C(C)C)OC1=O |r| Show InChI InChI=1S/C22H39NO5/c1-5-7-9-11-13-18-19(28-21(18)25)14-17(12-10-8-6-2)27-22(26)20(16(3)4)23-15-24/h15-20H,5-14H2,1-4H3,(H,23,24)/t17-,18-,19-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24577 ((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]-3-{[(4-m...) Show SMILES CCCCCC[C@H]1[C@H](C[C@@H](COS(=O)(=O)c2ccc(C)cc2)OC(=O)CNC=O)OC1=O |r| Show InChI InChI=1S/C22H31NO8S/c1-3-4-5-6-7-19-20(31-22(19)26)12-17(30-21(25)13-23-15-24)14-29-32(27,28)18-10-8-16(2)9-11-18/h8-11,15,17,19-20H,3-7,12-14H2,1-2H3,(H,23,24)/t17-,19-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50242223 (CHEMBL4091800) Show SMILES CCCCCC[C@H]1[C@@H](OC1=O)C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C34H45N3O8/c1-3-4-5-12-19-27-29(45-33(27)41)31(39)35-21-14-13-20-28(37-34(42)44-23-26-17-10-7-11-18-26)30(38)36-24(2)32(40)43-22-25-15-8-6-9-16-25/h6-11,15-18,24,27-29H,3-5,12-14,19-23H2,1-2H3,(H,35,39)(H,36,38)(H,37,42)/t24-,27-,28-,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of 20S proteasome in human red blood cells pretreated for 20 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substr...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24578 ((2S,5E)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridec...) Show SMILES CCCCCCC\C=C\CC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](Cc1ccccc1)NC=O |r| Show InChI InChI=1S/C32H49NO5/c1-3-5-7-9-10-11-12-13-17-21-27(24-30-28(31(35)38-30)22-18-8-6-4-2)37-32(36)29(33-25-34)23-26-19-15-14-16-20-26/h12-16,19-20,25,27-30H,3-11,17-18,21-24H2,1-2H3,(H,33,34)/b13-12+/t27-,28-,29-,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24579 ((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]pentadeca...) Show SMILES CCCCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](Cc1cnc[nH]1)NC=O |r| Show InChI InChI=1S/C31H53N3O5/c1-3-5-7-9-10-11-12-13-14-15-16-18-26(21-29-27(30(36)39-29)19-17-8-6-4-2)38-31(37)28(34-24-35)20-25-22-32-23-33-25/h22-24,26-29H,3-21H2,1-2H3,(H,32,33)(H,34,35)/t26-,27-,28-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24581 ((2R)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]hex-5-en-...) Show SMILES CCCCCC[C@H]1[C@H](C[C@@H](CCC=C)OC(=O)CNC=O)OC1=O |r| Show InChI InChI=1S/C18H29NO5/c1-3-5-7-8-10-15-16(24-18(15)22)11-14(9-6-4-2)23-17(21)12-19-13-20/h4,13-16H,2-3,5-12H2,1H3,(H,19,20)/t14-,15+,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24580 ((2S,5E)-6-(4-fluorophenyl)-1-[(2S,3S)-3-hexyl-4-ox...) Show SMILES CCCCCC[C@H]1[C@H](C[C@H](CC\C=C\c2ccc(F)cc2)OC(=O)[C@H](CC(C)C)NC=O)OC1=O |r| Show InChI InChI=1S/C28H40FNO5/c1-4-5-6-7-12-24-26(35-27(24)32)18-23(34-28(33)25(30-19-31)17-20(2)3)11-9-8-10-21-13-15-22(29)16-14-21/h8,10,13-16,19-20,23-26H,4-7,9,11-12,17-18H2,1-3H3,(H,30,31)/b10-8+/t23-,24-,25-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50242244 (CHEMBL4073670) Show SMILES CCCCCC[C@H]1[C@@H](OC1=O)C(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C34H45N3O8/c1-3-4-5-12-19-27-29(45-32(27)40)31(39)35-21-14-13-20-28(33(41)43-22-25-15-8-6-9-16-25)37-30(38)24(2)36-34(42)44-23-26-17-10-7-11-18-26/h6-11,15-18,24,27-29H,3-5,12-14,19-23H2,1-2H3,(H,35,39)(H,36,42)(H,37,38)/t24-,27-,28-,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of 20S proteasome in human red blood cells pretreated for 20 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substr...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50242222 (CHEMBL4062314) Show SMILES CCCCCC[C@H]1[C@@H](OC1=O)C(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)c1ccc(Br)cc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C33H42BrN3O7/c1-3-4-5-9-14-26-28(44-32(26)41)31(40)35-20-11-10-15-27(33(42)43-21-23-12-7-6-8-13-23)37-29(38)22(2)36-30(39)24-16-18-25(34)19-17-24/h6-8,12-13,16-19,22,26-28H,3-5,9-11,14-15,20-21H2,1-2H3,(H,35,40)(H,36,39)(H,37,38)/t22-,26-,27-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of 20S proteasome in human red blood cells pretreated for 20 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substr...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50242224 (CHEMBL4070939) Show SMILES CCCCCC[C@H]1[C@@H](OC1=O)C(=O)NCCCC[C@@H]1NC(=O)N([C@@H](C)C(=O)OCc2ccccc2)C1=O |r| Show InChI InChI=1S/C27H37N3O7/c1-3-4-5-9-14-20-22(37-26(20)34)23(31)28-16-11-10-15-21-24(32)30(27(35)29-21)18(2)25(33)36-17-19-12-7-6-8-13-19/h6-8,12-13,18,20-22H,3-5,9-11,14-17H2,1-2H3,(H,28,31)(H,29,35)/t18-,20-,21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of 20S proteasome in human red blood cells pretreated for 20 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substr...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24582 ((2R)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]propan-2-...) Show SMILES CCCCCC[C@H]1[C@H](C[C@@H](C)OC(=O)CNC=O)OC1=O |r| Show InChI InChI=1S/C15H25NO5/c1-3-4-5-6-7-12-13(21-15(12)19)8-11(2)20-14(18)9-16-10-17/h10-13H,3-9H2,1-2H3,(H,16,17)/t11-,12+,13+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50242242 (CHEMBL4100488) Show SMILES CCCCCC[C@H]1[C@@H](OC1=O)C(=O)NCCCC[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C33H43N3O8/c1-2-3-4-11-18-26-29(44-31(26)39)30(38)34-20-13-12-19-27(32(40)42-22-24-14-7-5-8-15-24)36-28(37)21-35-33(41)43-23-25-16-9-6-10-17-25/h5-10,14-17,26-27,29H,2-4,11-13,18-23H2,1H3,(H,34,38)(H,35,41)(H,36,37)/t26-,27-,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of 20S proteasome in human red blood cells pretreated for 20 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substr...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24583 ((2R,5E)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]hept-5...) Show SMILES CCCCCC[C@H]1[C@H](C[C@@H](CC\C=C\C)OC(=O)[C@@H](NC=O)C(C)C)OC1=O |r| Show InChI InChI=1S/C22H37NO5/c1-5-7-9-11-13-18-19(28-21(18)25)14-17(12-10-8-6-2)27-22(26)20(16(3)4)23-15-24/h6,8,15-20H,5,7,9-14H2,1-4H3,(H,23,24)/b8-6+/t17-,18+,19+,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50242221 (CHEMBL4084033) Show SMILES CCCCCC[C@H]1[C@@H](OC1=O)C(=O)NCCC[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C33H43N3O8/c1-3-4-5-12-18-26-28(44-31(26)39)30(38)34-20-13-19-27(32(40)42-21-24-14-8-6-9-15-24)36-29(37)23(2)35-33(41)43-22-25-16-10-7-11-17-25/h6-11,14-17,23,26-28H,3-5,12-13,18-22H2,1-2H3,(H,34,38)(H,35,41)(H,36,37)/t23-,26-,27-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of 20S proteasome in human red blood cells pretreated for 20 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substr...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24569 ((1R)-1-{[(2S,3S)-3-ethyl-4-oxooxetan-2-yl]methyl}d...) Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CC)OC(=O)CNC=O |r| Show InChI InChI=1S/C21H37NO5/c1-3-5-6-7-8-9-10-11-12-13-17(26-20(24)15-22-16-23)14-19-18(4-2)21(25)27-19/h16-19H,3-15H2,1-2H3,(H,22,23)/t17-,18-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24585 ((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]hex-5-en-...) Show SMILES CCCCCC[C@H]1[C@H](C[C@H](CCC=C)OC(=O)[C@H](Cc2ccccc2)NC=O)OC1=O |r| Show InChI InChI=1S/C25H35NO5/c1-3-5-7-11-15-21-23(31-24(21)28)17-20(14-6-4-2)30-25(29)22(26-18-27)16-19-12-9-8-10-13-19/h4,8-10,12-13,18,20-23H,2-3,5-7,11,14-17H2,1H3,(H,26,27)/t20-,21-,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24586 ((1R)-1-{[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]methyl}d...) Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)CNC=O |r| Show InChI InChI=1S/C25H45NO5/c1-3-5-7-9-10-11-12-13-14-16-21(30-24(28)19-26-20-27)18-23-22(25(29)31-23)17-15-8-6-4-2/h20-23H,3-19H2,1-2H3,(H,26,27)/t21-,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24587 ((2S,5E)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]hept-5...) Show SMILES CCCCCC[C@H]1[C@H](C[C@H](CC\C=C\C)OC(=O)[C@H](Cc2ccccc2)NC=O)OC1=O |r| Show InChI InChI=1S/C26H37NO5/c1-3-5-7-12-16-22-24(32-25(22)29)18-21(15-9-6-4-2)31-26(30)23(27-19-28)17-20-13-10-8-11-14-20/h4,6,8,10-11,13-14,19,21-24H,3,5,7,9,12,15-18H2,1-2H3,(H,27,28)/b6-4+/t21-,22-,23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50242231 (CHEMBL4098160) Show SMILES CCCCCC[C@]1(C)[C@@H](OC1=O)C(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C35H47N3O8/c1-4-5-6-14-21-35(3)29(46-33(35)42)31(40)36-22-15-13-20-28(32(41)44-23-26-16-9-7-10-17-26)38-30(39)25(2)37-34(43)45-24-27-18-11-8-12-19-27/h7-12,16-19,25,28-29H,4-6,13-15,20-24H2,1-3H3,(H,36,40)(H,37,43)(H,38,39)/t25-,28-,29-,35+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of human FAS thioster domain preincubated for 30 mins followed by 4-methylumbelliferyl heptanoate substrate addition measured every 5 mins...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24588 ((1R)-1-{[(2S,3S)-3-butyl-4-oxooxetan-2-yl]methyl}d...) Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCC)OC(=O)CNC=O |r| Show InChI InChI=1S/C23H41NO5/c1-3-5-7-8-9-10-11-12-13-14-19(28-22(26)17-24-18-25)16-21-20(15-6-4-2)23(27)29-21/h18-21H,3-17H2,1-2H3,(H,24,25)/t19-,20-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24567 ((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...) Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r| Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50242226 (CHEMBL4081526) Show SMILES CCCCCC[C@@H]1[C@H](OC1=O)C(=O)NCCCC[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C33H43N3O8/c1-2-3-4-11-18-26-29(44-31(26)39)30(38)34-20-13-12-19-27(32(40)42-22-24-14-7-5-8-15-24)36-28(37)21-35-33(41)43-23-25-16-9-6-10-17-25/h5-10,14-17,26-27,29H,2-4,11-13,18-23H2,1H3,(H,34,38)(H,35,41)(H,36,37)/t26-,27+,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of 20S proteasome in human red blood cells pretreated for 20 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substr...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50242223 (CHEMBL4091800) Show SMILES CCCCCC[C@H]1[C@@H](OC1=O)C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C34H45N3O8/c1-3-4-5-12-19-27-29(45-33(27)41)31(39)35-21-14-13-20-28(37-34(42)44-23-26-17-10-7-11-18-26)30(38)36-24(2)32(40)43-22-25-15-8-6-9-16-25/h6-11,15-18,24,27-29H,3-5,12-14,19-23H2,1-2H3,(H,35,39)(H,36,38)(H,37,42)/t24-,27-,28-,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of human FAS thioster domain preincubated for 30 mins followed by 4-methylumbelliferyl heptanoate substrate addition measured every 5 mins...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24586 ((1R)-1-{[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]methyl}d...) Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)CNC=O |r| Show InChI InChI=1S/C25H45NO5/c1-3-5-7-9-10-11-12-13-14-16-21(30-24(28)19-26-20-27)18-23-22(25(29)31-23)17-15-8-6-4-2/h20-23H,3-19H2,1-2H3,(H,26,27)/t21-,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.72E+3	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Proteasome subunit beta type-1 (Homo sapiens (Human))	BDBM50242221 (CHEMBL4084033) Show SMILES CCCCCC[C@H]1[C@@H](OC1=O)C(=O)NCCC[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C33H43N3O8/c1-3-4-5-12-18-26-28(44-31(26)39)30(38)34-20-13-19-27(32(40)42-21-24-14-8-6-9-15-24)36-29(37)23(2)35-33(41)43-22-25-16-10-7-11-17-25/h6-11,14-17,23,26-28H,3-5,12-13,18-22H2,1-2H3,(H,34,38)(H,35,41)(H,36,37)/t23-,26-,27-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of caspase-like activity of 20S proteasome in human red blood cells pretreated for 20 mins followed by Z-Leu-Leu-Glu-AMC substrate additio...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50242228 (CHEMBL4066131) Show SMILES CCCCCC[C@]1(C)[C@H](OC1=O)C(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C35H47N3O8/c1-4-5-6-14-21-35(3)29(46-33(35)42)31(40)36-22-15-13-20-28(32(41)44-23-26-16-9-7-10-17-26)38-30(39)25(2)37-34(43)45-24-27-18-11-8-12-19-27/h7-12,16-19,25,28-29H,4-6,13-15,20-24H2,1-3H3,(H,36,40)(H,37,43)(H,38,39)/t25-,28-,29+,35+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of 20S proteasome in human red blood cells pretreated for 20 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substr...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50242227 (CHEMBL4087502) Show SMILES CCCCCC[C@@]1(C)[C@@H](OC1=O)C(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C35H47N3O8/c1-4-5-6-14-21-35(3)29(46-33(35)42)31(40)36-22-15-13-20-28(32(41)44-23-26-16-9-7-10-17-26)38-30(39)25(2)37-34(43)45-24-27-18-11-8-12-19-27/h7-12,16-19,25,28-29H,4-6,13-15,20-24H2,1-3H3,(H,36,40)(H,37,43)(H,38,39)/t25-,28-,29-,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of 20S proteasome in human red blood cells pretreated for 20 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substr...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50242227 (CHEMBL4087502) Show SMILES CCCCCC[C@@]1(C)[C@@H](OC1=O)C(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C35H47N3O8/c1-4-5-6-14-21-35(3)29(46-33(35)42)31(40)36-22-15-13-20-28(32(41)44-23-26-16-9-7-10-17-26)38-30(39)25(2)37-34(43)45-24-27-18-11-8-12-19-27/h7-12,16-19,25,28-29H,4-6,13-15,20-24H2,1-3H3,(H,36,40)(H,37,43)(H,38,39)/t25-,28-,29-,35-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of human FAS thioster domain preincubated for 30 mins followed by 4-methylumbelliferyl heptanoate substrate addition measured every 5 mins...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50242225 (CHEMBL4099536) Show SMILES CCCCCC[C@@H]1[C@H](OC1=O)C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C34H45N3O8/c1-3-4-5-12-19-27-29(45-33(27)41)31(39)35-21-14-13-20-28(37-34(42)44-23-26-17-10-7-11-18-26)30(38)36-24(2)32(40)43-22-25-15-8-6-9-16-25/h6-11,15-18,24,27-29H,3-5,12-14,19-23H2,1-2H3,(H,35,39)(H,36,38)(H,37,42)/t24-,27+,28-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of 20S proteasome in human red blood cells pretreated for 20 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substr...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Proteasome subunit beta type-1 (Homo sapiens (Human))	BDBM50242222 (CHEMBL4062314) Show SMILES CCCCCC[C@H]1[C@@H](OC1=O)C(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)c1ccc(Br)cc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C33H42BrN3O7/c1-3-4-5-9-14-26-28(44-32(26)41)31(40)35-20-11-10-15-27(33(42)43-21-23-12-7-6-8-13-23)37-29(38)22(2)36-30(39)24-16-18-25(34)19-17-24/h6-8,12-13,16-19,22,26-28H,3-5,9-11,14-15,20-21H2,1-2H3,(H,35,40)(H,36,39)(H,37,38)/t22-,26-,27-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of caspase-like activity of 20S proteasome in human red blood cells pretreated for 20 mins followed by Z-Leu-Leu-Glu-AMC substrate additio...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24590 ((2S)-1-[(2S,3S)-3-octyl-4-oxooxetan-2-yl]undecan-2...) Show SMILES CCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r| Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-13-14-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-15-12-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Proteasome subunit beta type-1 (Homo sapiens (Human))	BDBM50242244 (CHEMBL4073670) Show SMILES CCCCCC[C@H]1[C@@H](OC1=O)C(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C34H45N3O8/c1-3-4-5-12-19-27-29(45-32(27)40)31(39)35-21-14-13-20-28(33(41)43-22-25-15-8-6-9-16-25)37-30(38)24(2)36-34(42)44-23-26-17-10-7-11-18-26/h6-11,15-18,24,27-29H,3-5,12-14,19-23H2,1-2H3,(H,35,39)(H,36,42)(H,37,38)/t24-,27-,28-,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of caspase-like activity of 20S proteasome in human red blood cells pretreated for 20 mins followed by Z-Leu-Leu-Glu-AMC substrate additio...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50242228 (CHEMBL4066131) Show SMILES CCCCCC[C@]1(C)[C@H](OC1=O)C(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C35H47N3O8/c1-4-5-6-14-21-35(3)29(46-33(35)42)31(40)36-22-15-13-20-28(32(41)44-23-26-16-9-7-10-17-26)38-30(39)25(2)37-34(43)45-24-27-18-11-8-12-19-27/h7-12,16-19,25,28-29H,4-6,13-15,20-24H2,1-3H3,(H,36,40)(H,37,43)(H,38,39)/t25-,28-,29+,35+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of human FAS thioster domain preincubated for 30 mins followed by 4-methylumbelliferyl heptanoate substrate addition measured every 5 mins...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50242244 (CHEMBL4073670) Show SMILES CCCCCC[C@H]1[C@@H](OC1=O)C(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C34H45N3O8/c1-3-4-5-12-19-27-29(45-32(27)40)31(39)35-21-14-13-20-28(33(41)43-22-25-15-8-6-9-16-25)37-30(38)24(2)36-34(42)44-23-26-17-10-7-11-18-26/h6-11,15-18,24,27-29H,3-5,12-14,19-23H2,1-2H3,(H,35,39)(H,36,42)(H,37,38)/t24-,27-,28-,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of human FAS thioster domain preincubated for 30 mins followed by 4-methylumbelliferyl heptanoate substrate addition measured every 5 mins...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair

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