Marvin 2D Structure

Wt: 196.2 BDBM93045	Wt: 224.3 BDBM93046	Wt: 238.3 BDBM93047	Wt: 238.3 BDBM93048	Wt: 210.2 BDBM50138281
Wt: 214.3 BDBM50180123	Wt: 196.2 BDBM50180128	Wt: 212.3 BDBM50180133	Wt: 224.3 BDBM50180135	Wt: 242.3 BDBM50180103
Wt: 198.2 BDBM50180109	Wt: 242.3 BDBM50180110	Wt: 212.3 BDBM50180118	Wt: 240.3 BDBM50180119	Wt: 210.2 BDBM50241313

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 73 hits in this display   

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
3-oxoacyl-[acyl-carrier-protein] synthase 1 (Mycobacterium tuberculosis)	BDBM93048 (TLM analog, 5) Show SMILES CC(=O)C1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O |r| Show InChI InChI=1S/C12H14O3S/c1-5-7(2)6-12(4)10(14)9(8(3)13)11(15)16-12/h5-6,9H,1H2,2-4H3/b7-6+/t9?,12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	8.5	n/a
Institute for Chemical Biology & Drug Discovery					Assay Description Binding of TLM and the TLM analogs to KasA was quantified by monitoring changes in the intrinsic tryptophan fluroescence of the enzyme using 280-nm e...				J Biol Chem 288: 6045-52 (2013) Article DOI: 10.1074/jbc.M112.414516 BindingDB Entry DOI: 10.7270/Q2KP80S4
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 1 (Mycobacterium tuberculosis)	BDBM50241313 ((5R)-4-hydroxy-3,5-dimethyl-5-[(1E)-2-methylbuta-1...) Show SMILES CC1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O |r| Show InChI InChI=1S/C11H14O2S/c1-5-7(2)6-11(4)9(12)8(3)10(13)14-11/h5-6,8H,1H2,2-4H3/b7-6+/t8?,11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	8.5	n/a
Institute for Chemical Biology & Drug Discovery					Assay Description Binding of TLM and the TLM analogs to KasA was quantified by monitoring changes in the intrinsic tryptophan fluroescence of the enzyme using 280-nm e...				J Biol Chem 288: 6045-52 (2013) Article DOI: 10.1074/jbc.M112.414516 BindingDB Entry DOI: 10.7270/Q2KP80S4
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-oxoacyl-[acyl-carrier-protein] synthase 1 (Mycobacterium tuberculosis)	BDBM93046 (TLM analog, 3) Show SMILES CCC1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O |r| Show InChI InChI=1S/C12H16O2S/c1-5-8(3)7-12(4)10(13)9(6-2)11(14)15-12/h5,7,9H,1,6H2,2-4H3/b8-7+/t9?,12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	8.5	n/a
Institute for Chemical Biology & Drug Discovery					Assay Description Binding of TLM and the TLM analogs to KasA was quantified by monitoring changes in the intrinsic tryptophan fluroescence of the enzyme using 280-nm e...				J Biol Chem 288: 6045-52 (2013) Article DOI: 10.1074/jbc.M112.414516 BindingDB Entry DOI: 10.7270/Q2KP80S4
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 1 (Mycobacterium tuberculosis)	BDBM93048 (TLM analog, 5) Show SMILES CC(=O)C1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O |r| Show InChI InChI=1S/C12H14O3S/c1-5-7(2)6-12(4)10(14)9(8(3)13)11(15)16-12/h5-6,9H,1H2,2-4H3/b7-6+/t9?,12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	8.5	n/a
Institute for Chemical Biology & Drug Discovery					Assay Description Binding of TLM and the TLM analogs to KasA was quantified by monitoring changes in the intrinsic tryptophan fluroescence of the enzyme using 280-nm e...				J Biol Chem 288: 6045-52 (2013) Article DOI: 10.1074/jbc.M112.414516 BindingDB Entry DOI: 10.7270/Q2KP80S4
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 1 (Mycobacterium tuberculosis)	BDBM93047 (TLM analog, 4) Show SMILES CCCC1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O |r| Show InChI InChI=1S/C13H18O2S/c1-5-7-10-11(14)13(4,16-12(10)15)8-9(3)6-2/h6,8,10H,2,5,7H2,1,3-4H3/b9-8+/t10?,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	8.5	n/a
Institute for Chemical Biology & Drug Discovery					Assay Description Binding of TLM and the TLM analogs to KasA was quantified by monitoring changes in the intrinsic tryptophan fluroescence of the enzyme using 280-nm e...				J Biol Chem 288: 6045-52 (2013) Article DOI: 10.1074/jbc.M112.414516 BindingDB Entry DOI: 10.7270/Q2KP80S4
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 1 (Mycobacterium tuberculosis)	BDBM93045 (TLM analog, 2) Show SMILES C\C(C=C)=C/[C@@]1(C)SC(=O)CC1=O |r| Show InChI InChI=1S/C10H12O2S/c1-4-7(2)6-10(3)8(11)5-9(12)13-10/h4,6H,1,5H2,2-3H3/b7-6+/t10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.69E+4	n/a	n/a	n/a	n/a	n/a	n/a	8.5	n/a
Institute for Chemical Biology & Drug Discovery					Assay Description Binding of TLM and the TLM analogs to KasA was quantified by monitoring changes in the intrinsic tryptophan fluroescence of the enzyme using 280-nm e...				J Biol Chem 288: 6045-52 (2013) Article DOI: 10.1074/jbc.M112.414516 BindingDB Entry DOI: 10.7270/Q2KP80S4
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 1 (Mycobacterium tuberculosis)	BDBM50241313 ((5R)-4-hydroxy-3,5-dimethyl-5-[(1E)-2-methylbuta-1...) Show SMILES CC1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O |r| Show InChI InChI=1S/C11H14O2S/c1-5-7(2)6-11(4)9(12)8(3)10(13)14-11/h5-6,8H,1H2,2-4H3/b7-6+/t8?,11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.75E+5	n/a	n/a	n/a	n/a	n/a	n/a	8.5	n/a
Institute for Chemical Biology & Drug Discovery					Assay Description Binding of TLM and the TLM analogs to KasA was quantified by monitoring changes in the intrinsic tryptophan fluroescence of the enzyme using 280-nm e...				J Biol Chem 288: 6045-52 (2013) Article DOI: 10.1074/jbc.M112.414516 BindingDB Entry DOI: 10.7270/Q2KP80S4
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-oxoacyl-[acyl-carrier-protein] synthase 1 (Mycobacterium tuberculosis)	BDBM93047 (TLM analog, 4) Show SMILES CCCC1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O |r| Show InChI InChI=1S/C13H18O2S/c1-5-7-10-11(14)13(4,16-12(10)15)8-9(3)6-2/h6,8,10H,2,5,7H2,1,3-4H3/b9-8+/t10?,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	3.05E+5	n/a	n/a	n/a	n/a	n/a	n/a	8.5	n/a
Institute for Chemical Biology & Drug Discovery					Assay Description Binding of TLM and the TLM analogs to KasA was quantified by monitoring changes in the intrinsic tryptophan fluroescence of the enzyme using 280-nm e...				J Biol Chem 288: 6045-52 (2013) Article DOI: 10.1074/jbc.M112.414516 BindingDB Entry DOI: 10.7270/Q2KP80S4
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 1 (Mycobacterium tuberculosis)	BDBM93046 (TLM analog, 3) Show SMILES CCC1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O |r| Show InChI InChI=1S/C12H16O2S/c1-5-8(3)7-12(4)10(13)9(6-2)11(14)15-12/h5,7,9H,1,6H2,2-4H3/b8-7+/t9?,12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	3.57E+5	n/a	n/a	n/a	n/a	n/a	n/a	8.5	n/a
Institute for Chemical Biology & Drug Discovery					Assay Description Binding of TLM and the TLM analogs to KasA was quantified by monitoring changes in the intrinsic tryptophan fluroescence of the enzyme using 280-nm e...				J Biol Chem 288: 6045-52 (2013) Article DOI: 10.1074/jbc.M112.414516 BindingDB Entry DOI: 10.7270/Q2KP80S4
					More data for this Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease (Homo sapiens (Human))	BDBM50241313 ((5R)-4-hydroxy-3,5-dimethyl-5-[(1E)-2-methylbuta-1...) Show SMILES CC1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O |r| Show InChI InChI=1S/C11H14O2S/c1-5-7(2)6-11(4)9(12)8(3)10(13)14-11/h5-6,8H,1H2,2-4H3/b7-6+/t8?,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human APE1 preincubated for 15 mins followed by substrate addition by HTS assay				Bioorg Med Chem 25: 2531-2544 (2017) Article DOI: 10.1016/j.bmc.2017.01.028 BindingDB Entry DOI: 10.7270/Q2P55R4B
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50241313 ((5R)-4-hydroxy-3,5-dimethyl-5-[(1E)-2-methylbuta-1...) Show SMILES CC1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O |r| Show InChI InChI=1S/C11H14O2S/c1-5-7(2)6-11(4)9(12)8(3)10(13)14-11/h5-6,8H,1H2,2-4H3/b7-6+/t8?,11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against KasA from Mycobacterium tuberculosis H37Rv				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 2 (Mycobacterium tuberculosis)	BDBM50241313 ((5R)-4-hydroxy-3,5-dimethyl-5-[(1E)-2-methylbuta-1...) Show SMILES CC1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O |r| Show InChI InChI=1S/C11H14O2S/c1-5-7(2)6-11(4)9(12)8(3)10(13)14-11/h5-6,8H,1H2,2-4H3/b7-6+/t8?,11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against KasB from Mycobacterium tuberculosis H37Rv				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 1 (Escherichia coli (strain K12))	BDBM50241313 ((5R)-4-hydroxy-3,5-dimethyl-5-[(1E)-2-methylbuta-1...) Show SMILES CC1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O |r| Show InChI InChI=1S/C11H14O2S/c1-5-7(2)6-11(4)9(12)8(3)10(13)14-11/h5-6,8H,1H2,2-4H3/b7-6+/t8?,11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against FabB from Escherichia coli ANSI				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-oxoacyl-[acyl-carrier-protein] synthase 1 (Escherichia coli (strain K12))	BDBM50138281 (4-Hydroxy-3,5-dimethyl-5-((E)-2-methyl-buta-1,3-di...) Show SMILES CC1C(=O)SC(C)(\C=C(/C)C=C)C1=O Show InChI InChI=1S/C11H14O2S/c1-5-7(2)6-11(4)9(12)8(3)10(13)14-11/h5-6,8H,1H2,2-4H3/b7-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against FabB from Escherichia coli ANSI				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair				3D Structure (docked)
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50180128 (5-((E)-buta-1,3-dienyl)-3,5-dimethyl-4-hydroxy-5H-...) Show SMILES CC1C(=O)SC(C)(\C=C\C=C)C1=O Show InChI InChI=1S/C10H12O2S/c1-4-5-6-10(3)8(11)7(2)9(12)13-10/h4-7H,1H2,2-3H3/b6-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against KasA from Mycobacterium tuberculosis H37Rv				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50180135 ((R)-3,5-dimethyl-4-hydroxy-5-((1E,3E)-2-methylpent...) Show SMILES C\C=C\C(\C)=C\[C@@]1(C)SC(=O)C(C)C1=O Show InChI InChI=1S/C12H16O2S/c1-5-6-8(2)7-12(4)10(13)9(3)11(14)15-12/h5-7,9H,1-4H3/b6-5+,8-7+/t9?,12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against KasA from Mycobacterium tuberculosis H37Rv				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50241313 ((5R)-4-hydroxy-3,5-dimethyl-5-[(1E)-2-methylbuta-1...) Show SMILES CC1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O |r| Show InChI InChI=1S/C11H14O2S/c1-5-7(2)6-11(4)9(12)8(3)10(13)14-11/h5-6,8H,1H2,2-4H3/b7-6+/t8?,11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Birmingham Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis FabH				Bioorg Med Chem Lett 17: 5643-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.082 BindingDB Entry DOI: 10.7270/Q2QF8TPJ
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50241313 ((5R)-4-hydroxy-3,5-dimethyl-5-[(1E)-2-methylbuta-1...) Show SMILES CC1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O |r| Show InChI InChI=1S/C11H14O2S/c1-5-7(2)6-11(4)9(12)8(3)10(13)14-11/h5-6,8H,1H2,2-4H3/b7-6+/t8?,11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against FabH from Mycobacterium tuberculosis H37Rv				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50241313 ((5R)-4-hydroxy-3,5-dimethyl-5-[(1E)-2-methylbuta-1...) Show SMILES CC1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O |r| Show InChI InChI=1S/C11H14O2S/c1-5-7(2)6-11(4)9(12)8(3)10(13)14-11/h5-6,8H,1H2,2-4H3/b7-6+/t8?,11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Inhibitory concentration against purified human fatty acid synthase activity in ZR-75-1 breast cancer cells				J Med Chem 48: 946-61 (2005) Article DOI: 10.1021/jm049389h BindingDB Entry DOI: 10.7270/Q2NS0XN4
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50241313 ((5R)-4-hydroxy-3,5-dimethyl-5-[(1E)-2-methylbuta-1...) Show SMILES CC1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O |r| Show InChI InChI=1S/C11H14O2S/c1-5-7(2)6-11(4)9(12)8(3)10(13)14-11/h5-6,8H,1H2,2-4H3/b7-6+/t8?,11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Inhibitory concentration against purified human fatty acid synthase activity in ZR-75-1 breast cancer cells				J Med Chem 48: 946-61 (2005) Article DOI: 10.1021/jm049389h BindingDB Entry DOI: 10.7270/Q2NS0XN4
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50241313 ((5R)-4-hydroxy-3,5-dimethyl-5-[(1E)-2-methylbuta-1...) Show SMILES CC1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O |r| Show InChI InChI=1S/C11H14O2S/c1-5-7(2)6-11(4)9(12)8(3)10(13)14-11/h5-6,8H,1H2,2-4H3/b7-6+/t8?,11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against human FAS1				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50138281 (4-Hydroxy-3,5-dimethyl-5-((E)-2-methyl-buta-1,3-di...) Show SMILES CC1C(=O)SC(C)(\C=C(/C)C=C)C1=O Show InChI InChI=1S/C11H14O2S/c1-5-7(2)6-11(4)9(12)8(3)10(13)14-11/h5-6,8H,1H2,2-4H3/b7-6+	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	1.43E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against human FAS1				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50241313 ((5R)-4-hydroxy-3,5-dimethyl-5-[(1E)-2-methylbuta-1...) Show SMILES CC1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O |r| Show InChI InChI=1S/C11H14O2S/c1-5-7(2)6-11(4)9(12)8(3)10(13)14-11/h5-6,8H,1H2,2-4H3/b7-6+/t8?,11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>3.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of FASN in human HepG2 cells				J Med Chem 54: 5615-38 (2011) Article DOI: 10.1021/jm2005805 BindingDB Entry DOI: 10.7270/Q21N8261
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 2 (Mycobacterium tuberculosis)	BDBM50180128 (5-((E)-buta-1,3-dienyl)-3,5-dimethyl-4-hydroxy-5H-...) Show SMILES CC1C(=O)SC(C)(\C=C\C=C)C1=O Show InChI InChI=1S/C10H12O2S/c1-4-5-6-10(3)8(11)7(2)9(12)13-10/h4-7H,1H2,2-3H3/b6-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against KasB from Mycobacterium tuberculosis H37Rv				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 2 (Mycobacterium tuberculosis)	BDBM50180135 ((R)-3,5-dimethyl-4-hydroxy-5-((1E,3E)-2-methylpent...) Show SMILES C\C=C\C(\C)=C\[C@@]1(C)SC(=O)C(C)C1=O Show InChI InChI=1S/C12H16O2S/c1-5-6-8(2)7-12(4)10(13)9(3)11(14)15-12/h5-7,9H,1-4H3/b6-5+,8-7+/t9?,12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against KasB from Mycobacterium tuberculosis H37Rv				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 1 (Escherichia coli (strain K12))	BDBM50180135 ((R)-3,5-dimethyl-4-hydroxy-5-((1E,3E)-2-methylpent...) Show SMILES C\C=C\C(\C)=C\[C@@]1(C)SC(=O)C(C)C1=O Show InChI InChI=1S/C12H16O2S/c1-5-6-8(2)7-12(4)10(13)9(3)11(14)15-12/h5-7,9H,1-4H3/b6-5+,8-7+/t9?,12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against FabB from Escherichia coli ANSI				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair				3D Structure (docked)
3-oxoacyl-[acyl-carrier-protein] synthase 1 (Escherichia coli (strain K12))	BDBM50180128 (5-((E)-buta-1,3-dienyl)-3,5-dimethyl-4-hydroxy-5H-...) Show SMILES CC1C(=O)SC(C)(\C=C\C=C)C1=O Show InChI InChI=1S/C10H12O2S/c1-4-5-6-10(3)8(11)7(2)9(12)13-10/h4-7H,1H2,2-3H3/b6-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against FabB from Escherichia coli ANSI				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair
Fatty acid synthase (Rattus norvegicus)	BDBM50241313 ((5R)-4-hydroxy-3,5-dimethyl-5-[(1E)-2-methylbuta-1...) Show SMILES CC1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O |r| Show InChI InChI=1S/C11H14O2S/c1-5-7(2)6-11(4)9(12)8(3)10(13)14-11/h5-6,8H,1H2,2-4H3/b7-6+/t8?,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>9.51E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of FASN in rat liver				J Med Chem 54: 5615-38 (2011) Article DOI: 10.1021/jm2005805 BindingDB Entry DOI: 10.7270/Q21N8261
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 2 (Mycobacterium tuberculosis)	BDBM50180118 (3,5-dimethyl-4-hydroxy-5-((E)-pent-2-enyl)-5H-thio...) Show SMILES CC\C=C\CC1(C)SC(=O)C(C)C1=O Show InChI InChI=1S/C11H16O2S/c1-4-5-6-7-11(3)9(12)8(2)10(13)14-11/h5-6,8H,4,7H2,1-3H3/b6-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against KasB from Mycobacterium tuberculosis H37Rv				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50180118 (3,5-dimethyl-4-hydroxy-5-((E)-pent-2-enyl)-5H-thio...) Show SMILES CC\C=C\CC1(C)SC(=O)C(C)C1=O Show InChI InChI=1S/C11H16O2S/c1-4-5-6-7-11(3)9(12)8(2)10(13)14-11/h5-6,8H,4,7H2,1-3H3/b6-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against KasA from Mycobacterium tuberculosis H37Rv				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 1 (Escherichia coli (strain K12))	BDBM50180103 (3,5-dimethyl-5-heptyl-4-hydroxy-5H-thiophen-2-one ...) Show SMILES CCCCCCCC1(C)SC(=O)C(C)C1=O Show InChI InChI=1S/C13H22O2S/c1-4-5-6-7-8-9-13(3)11(14)10(2)12(15)16-13/h10H,4-9H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against FabB from Escherichia coli ANSI				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair				3D Structure (docked)
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50180109 (5-(but-3-enyl)-3,5-dimethyl-4-hydroxy-5H-thiophen-...) Show SMILES CC1C(=O)SC(C)(CCC=C)C1=O Show InChI InChI=1S/C10H14O2S/c1-4-5-6-10(3)8(11)7(2)9(12)13-10/h4,7H,1,5-6H2,2-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against FabH from Escherichia coli ANSI				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 2 (Mycobacterium tuberculosis)	BDBM50180109 (5-(but-3-enyl)-3,5-dimethyl-4-hydroxy-5H-thiophen-...) Show SMILES CC1C(=O)SC(C)(CCC=C)C1=O Show InChI InChI=1S/C10H14O2S/c1-4-5-6-10(3)8(11)7(2)9(12)13-10/h4,7H,1,5-6H2,2-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against KasB from Mycobacterium tuberculosis H37Rv				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50180119 (5-cyclohexylmethyl-3,5-dimethyl-4-hydroxy-5H-thiop...) Show SMILES CC1C(=O)SC(C)(CC2CCCCC2)C1=O Show InChI InChI=1S/C13H20O2S/c1-9-11(14)13(2,16-12(9)15)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against FabH from Escherichia coli ANSI				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50180110 (3,5-dimethyl-4-hydroxy-5-(1-methylhexyl)-5H-thioph...) Show SMILES CCCCCC(C)C1(C)SC(=O)C(C)C1=O Show InChI InChI=1S/C13H22O2S/c1-5-6-7-8-9(2)13(4)11(14)10(3)12(15)16-13/h9-10H,5-8H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against FabH from Mycobacterium tuberculosis H37Rv				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50180103 (3,5-dimethyl-5-heptyl-4-hydroxy-5H-thiophen-2-one ...) Show SMILES CCCCCCCC1(C)SC(=O)C(C)C1=O Show InChI InChI=1S/C13H22O2S/c1-4-5-6-7-8-9-13(3)11(14)10(2)12(15)16-13/h10H,4-9H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against FabH from Mycobacterium tuberculosis H37Rv				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50180133 (5-cyclobutylmethyl-3,5-dimethyl-4-hydroxy-5H-thiop...) Show SMILES CC1C(=O)SC(C)(CC2CCC2)C1=O Show InChI InChI=1S/C11H16O2S/c1-7-9(12)11(2,14-10(7)13)6-8-4-3-5-8/h7-8H,3-6H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against KasA from Mycobacterium tuberculosis H37Rv				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50180118 (3,5-dimethyl-4-hydroxy-5-((E)-pent-2-enyl)-5H-thio...) Show SMILES CC\C=C\CC1(C)SC(=O)C(C)C1=O Show InChI InChI=1S/C11H16O2S/c1-4-5-6-7-11(3)9(12)8(2)10(13)14-11/h5-6,8H,4,7H2,1-3H3/b6-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against FabH from Mycobacterium tuberculosis H37Rv				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50180118 (3,5-dimethyl-4-hydroxy-5-((E)-pent-2-enyl)-5H-thio...) Show SMILES CC\C=C\CC1(C)SC(=O)C(C)C1=O Show InChI InChI=1S/C11H16O2S/c1-4-5-6-7-11(3)9(12)8(2)10(13)14-11/h5-6,8H,4,7H2,1-3H3/b6-5+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against FabH from Escherichia coli ANSI				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50180133 (5-cyclobutylmethyl-3,5-dimethyl-4-hydroxy-5H-thiop...) Show SMILES CC1C(=O)SC(C)(CC2CCC2)C1=O Show InChI InChI=1S/C11H16O2S/c1-7-9(12)11(2,14-10(7)13)6-8-4-3-5-8/h7-8H,3-6H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against FabH from Mycobacterium tuberculosis H37Rv				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 1 (Escherichia coli (strain K12))	BDBM50180123 (3,5-dimethyl-4-hydroxy-5-(3-methylbutyl)-5H-thioph...) Show SMILES CC(C)CCC1(C)SC(=O)C(C)C1=O Show InChI InChI=1S/C11H18O2S/c1-7(2)5-6-11(4)9(12)8(3)10(13)14-11/h7-8H,5-6H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against FabB from Escherichia coli ANSI				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair				3D Structure (docked)
3-oxoacyl-[acyl-carrier-protein] synthase 2 (Mycobacterium tuberculosis)	BDBM50180119 (5-cyclohexylmethyl-3,5-dimethyl-4-hydroxy-5H-thiop...) Show SMILES CC1C(=O)SC(C)(CC2CCCCC2)C1=O Show InChI InChI=1S/C13H20O2S/c1-9-11(14)13(2,16-12(9)15)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against KasB from Mycobacterium tuberculosis H37Rv				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50180133 (5-cyclobutylmethyl-3,5-dimethyl-4-hydroxy-5H-thiop...) Show SMILES CC1C(=O)SC(C)(CC2CCC2)C1=O Show InChI InChI=1S/C11H16O2S/c1-7-9(12)11(2,14-10(7)13)6-8-4-3-5-8/h7-8H,3-6H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against FabH from Escherichia coli ANSI				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50180123 (3,5-dimethyl-4-hydroxy-5-(3-methylbutyl)-5H-thioph...) Show SMILES CC(C)CCC1(C)SC(=O)C(C)C1=O Show InChI InChI=1S/C11H18O2S/c1-7(2)5-6-11(4)9(12)8(3)10(13)14-11/h7-8H,5-6H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against FabH from Mycobacterium tuberculosis H37Rv				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50180109 (5-(but-3-enyl)-3,5-dimethyl-4-hydroxy-5H-thiophen-...) Show SMILES CC1C(=O)SC(C)(CCC=C)C1=O Show InChI InChI=1S/C10H14O2S/c1-4-5-6-10(3)8(11)7(2)9(12)13-10/h4,7H,1,5-6H2,2-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against FabH from Mycobacterium tuberculosis H37Rv				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 2 (Mycobacterium tuberculosis)	BDBM50180110 (3,5-dimethyl-4-hydroxy-5-(1-methylhexyl)-5H-thioph...) Show SMILES CCCCCC(C)C1(C)SC(=O)C(C)C1=O Show InChI InChI=1S/C13H22O2S/c1-5-6-7-8-9(2)13(4)11(14)10(3)12(15)16-13/h9-10H,5-8H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against KasB from Mycobacterium tuberculosis H37Rv				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50180123 (3,5-dimethyl-4-hydroxy-5-(3-methylbutyl)-5H-thioph...) Show SMILES CC(C)CCC1(C)SC(=O)C(C)C1=O Show InChI InChI=1S/C11H18O2S/c1-7(2)5-6-11(4)9(12)8(3)10(13)14-11/h7-8H,5-6H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against KasA from Mycobacterium tuberculosis H37Rv				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 1 (Escherichia coli (strain K12))	BDBM50180110 (3,5-dimethyl-4-hydroxy-5-(1-methylhexyl)-5H-thioph...) Show SMILES CCCCCC(C)C1(C)SC(=O)C(C)C1=O Show InChI InChI=1S/C13H22O2S/c1-5-6-7-8-9(2)13(4)11(14)10(3)12(15)16-13/h9-10H,5-8H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against FabB from Escherichia coli ANSI				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair				3D Structure (docked)
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50180119 (5-cyclohexylmethyl-3,5-dimethyl-4-hydroxy-5H-thiop...) Show SMILES CC1C(=O)SC(C)(CC2CCCCC2)C1=O Show InChI InChI=1S/C13H20O2S/c1-9-11(14)13(2,16-12(9)15)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against FabH from Mycobacterium tuberculosis H37Rv				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 1 (Escherichia coli (strain K12))	BDBM50180133 (5-cyclobutylmethyl-3,5-dimethyl-4-hydroxy-5H-thiop...) Show SMILES CC1C(=O)SC(C)(CC2CCC2)C1=O Show InChI InChI=1S/C11H16O2S/c1-7-9(12)11(2,14-10(7)13)6-8-4-3-5-8/h7-8H,3-6H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against FabB from Escherichia coli ANSI				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair