Compile Data Set for Download or QSAR

Found 178 hits of ic50 data for polymerid = 4805,9986   

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 3 (Mycobacterium tuberculosis)	BDBM50245828 (2-Tosylnaphthalene-1,4-diol | CHEMBL509952) Show SMILES Cc1ccc(cc1)S(=O)(=O)c1cc(O)c2ccccc2c1O Show InChI InChI=1S/C17H14O4S/c1-11-6-8-12(9-7-11)22(20,21)16-10-15(18)13-4-2-3-5-14(13)17(16)19/h2-10,18-19H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
Portland State University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis FabH				Bioorg Med Chem Lett 18: 6402-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.097 BindingDB Entry DOI: 10.7270/Q2542PGV
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50245923 (2-(naphthalen-2-ylsulfonyl)naphthalene-1,4-diol | ...) Show SMILES Oc1cc(c(O)c2ccccc12)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C20H14O4S/c21-18-12-19(20(22)17-8-4-3-7-16(17)18)25(23,24)15-10-9-13-5-1-2-6-14(13)11-15/h1-12,21-22H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.49	n/a	n/a	n/a	n/a	n/a	n/a
Portland State University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis FabH				Bioorg Med Chem Lett 18: 6402-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.097 BindingDB Entry DOI: 10.7270/Q2542PGV
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50245928 (2-tosylnaphthalene-1,4-dione | CHEMBL454282) Show SMILES Cc1ccc(cc1)S(=O)(=O)C1=CC(=O)c2ccccc2C1=O |t:11| Show InChI InChI=1S/C17H12O4S/c1-11-6-8-12(9-7-11)22(20,21)16-10-15(18)13-4-2-3-5-14(13)17(16)19/h2-10H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.99	n/a	n/a	n/a	n/a	n/a	n/a
Portland State University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis FabH				Bioorg Med Chem Lett 18: 6402-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.097 BindingDB Entry DOI: 10.7270/Q2542PGV
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50245877 (2-(phenylsulfonyl)naphthalene-1,4-diol | CHEMBL462...) Show SMILES Oc1cc(c(O)c2ccccc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C16H12O4S/c17-14-10-15(16(18)13-9-5-4-8-12(13)14)21(19,20)11-6-2-1-3-7-11/h1-10,17-18H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.84	n/a	n/a	n/a	n/a	n/a	n/a
Portland State University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis FabH				Bioorg Med Chem Lett 18: 6402-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.097 BindingDB Entry DOI: 10.7270/Q2542PGV
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50245880 (2-(4-propylphenylsulfonyl)naphthalene-1,4-diol | C...) Show SMILES CCCc1ccc(cc1)S(=O)(=O)c1cc(O)c2ccccc2c1O Show InChI InChI=1S/C19H18O4S/c1-2-5-13-8-10-14(11-9-13)24(22,23)18-12-17(20)15-6-3-4-7-16(15)19(18)21/h3-4,6-12,20-21H,2,5H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.09	n/a	n/a	n/a	n/a	n/a	n/a
Portland State University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis FabH				Bioorg Med Chem Lett 18: 6402-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.097 BindingDB Entry DOI: 10.7270/Q2542PGV
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50245829 (2-(methylsulfonyl)naphthalene-1,4-diol | CHEMBL491...) Show SMILES CS(=O)(=O)c1cc(O)c2ccccc2c1O Show InChI InChI=1S/C11H10O4S/c1-16(14,15)10-6-9(12)7-4-2-3-5-8(7)11(10)13/h2-6,12-13H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.53	n/a	n/a	n/a	n/a	n/a	n/a
Portland State University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis FabH				Bioorg Med Chem Lett 18: 6402-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.097 BindingDB Entry DOI: 10.7270/Q2542PGV
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50245830 (3-(1,4-dihydroxynaphthalen-2-ylsulfonyl)propanoic ...) Show SMILES OC(=O)CCS(=O)(=O)c1cc(O)c2ccccc2c1O Show InChI InChI=1S/C13H12O6S/c14-10-7-11(20(18,19)6-5-12(15)16)13(17)9-4-2-1-3-8(9)10/h1-4,7,14,17H,5-6H2,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.53	n/a	n/a	n/a	n/a	n/a	n/a
Portland State University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis FabH				Bioorg Med Chem Lett 18: 6402-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.097 BindingDB Entry DOI: 10.7270/Q2542PGV
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50245879 (2-(4-chlorophenylsulfonyl)naphthalene-1,4-diol | C...) Show SMILES Oc1cc(c(O)c2ccccc12)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C16H11ClO4S/c17-10-5-7-11(8-6-10)22(20,21)15-9-14(18)12-3-1-2-4-13(12)16(15)19/h1-9,18-19H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.61	n/a	n/a	n/a	n/a	n/a	n/a
Portland State University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis FabH				Bioorg Med Chem Lett 18: 6402-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.097 BindingDB Entry DOI: 10.7270/Q2542PGV
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50245878 (CHEMBL512926 | N-(4-(1,4-dihydroxynaphthalen-2-yls...) Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)c1cc(O)c2ccccc2c1O Show InChI InChI=1S/C18H15NO5S/c1-11(20)19-12-6-8-13(9-7-12)25(23,24)17-10-16(21)14-4-2-3-5-15(14)18(17)22/h2-10,21-22H,1H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.76	n/a	n/a	n/a	n/a	n/a	n/a
Portland State University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis FabH				Bioorg Med Chem Lett 18: 6402-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.097 BindingDB Entry DOI: 10.7270/Q2542PGV
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50245924 (2-tosylanthracene-1,4-diol | CHEMBL451059) Show SMILES Cc1ccc(cc1)S(=O)(=O)c1cc(O)c2cc3ccccc3cc2c1O Show InChI InChI=1S/C21H16O4S/c1-13-6-8-16(9-7-13)26(24,25)20-12-19(22)17-10-14-4-2-3-5-15(14)11-18(17)21(20)23/h2-12,22-23H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.47	n/a	n/a	n/a	n/a	n/a	n/a
Portland State University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis FabH				Bioorg Med Chem Lett 18: 6402-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.097 BindingDB Entry DOI: 10.7270/Q2542PGV
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50245926 (CHEMBL462376 | N-(4-(2,5-dihydroxyphenylsulfonyl)p...) Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)c1cc(O)ccc1O Show InChI InChI=1S/C14H13NO5S/c1-9(16)15-10-2-5-12(6-3-10)21(19,20)14-8-11(17)4-7-13(14)18/h2-8,17-18H,1H3,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31.4	n/a	n/a	n/a	n/a	n/a	n/a
Portland State University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis FabH				Bioorg Med Chem Lett 18: 6402-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.097 BindingDB Entry DOI: 10.7270/Q2542PGV
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50245925 (2-tosylbenzene-1,4-diol | CHEMBL462375) Show SMILES Cc1ccc(cc1)S(=O)(=O)c1cc(O)ccc1O Show InChI InChI=1S/C13H12O4S/c1-9-2-5-11(6-3-9)18(16,17)13-8-10(14)4-7-12(13)15/h2-8,14-15H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	34.4	n/a	n/a	n/a	n/a	n/a	n/a
Portland State University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis FabH				Bioorg Med Chem Lett 18: 6402-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.097 BindingDB Entry DOI: 10.7270/Q2542PGV
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50245831 (2-(p-tolylthio)naphthalene-1,4-dione | CHEMBL50155...) Show SMILES Cc1ccc(SC2=CC(=O)c3ccccc3C2=O)cc1 |t:6| Show InChI InChI=1S/C17H12O2S/c1-11-6-8-12(9-7-11)20-16-10-15(18)13-4-2-3-5-14(13)17(16)19/h2-10H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Portland State University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis FabH				Bioorg Med Chem Lett 18: 6402-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.097 BindingDB Entry DOI: 10.7270/Q2542PGV
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50245927 (2-tosylnaphthalene | CHEMBL462553) Show SMILES Cc1ccc(cc1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C17H14O2S/c1-13-6-9-16(10-7-13)20(18,19)17-11-8-14-4-2-3-5-15(14)12-17/h2-12H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	138	n/a	n/a	n/a	n/a	n/a	n/a
Portland State University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis FabH				Bioorg Med Chem Lett 18: 6402-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.097 BindingDB Entry DOI: 10.7270/Q2542PGV
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM68278 (Decyl-CoA disulfide 5) Show SMILES CCCCCCCCCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C30H54N7O16P3S2/c1-4-5-6-7-8-9-10-11-15-57-58-16-14-32-21(38)12-13-33-28(41)25(40)30(2,3)52-56(47,48)53-55(45,46)49-17-20-24(51-54(42,43)44)23(39)29(50-20)37-19-36-22-26(31)34-18-35-27(22)37/h18-20,23-25,29,39-40H,4-17H2,1-3H3,(H,32,38)(H,33,41)(H,45,46)(H,47,48)(H2,31,34,35)(H2,42,43,44)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	7.0	37
Portland State University					Assay Description Escherichia coli FabH assays were carried out using standard coupled trichloroacetic acid precipitation assay to determine the rate formation of radi...				Chem Biol 14: 513-24 (2007) Article DOI: 10.1016/j.chembiol.2007.03.013 BindingDB Entry DOI: 10.7270/Q2WW7G3F
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM233092 (mtFabH inhibitor, 39) Show SMILES COC(=O)c1ccc(cc1)-c1ccc(CC2(C)SC(=O)C(C)=C2O)cc1 |c:22| Show InChI InChI=1S/C21H20O4S/c1-13-18(22)21(2,26-20(13)24)12-14-4-6-15(7-5-14)16-8-10-17(11-9-16)19(23)25-3/h4-11,22H,12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University					Assay Description The biological activities of the compounds were evaluated in the same laboratory. Biological activities measured as IC50 were converted to pIC50 (...				J Enzyme Inhib Med Chem 25: 240-9 (2010) Article DOI: 10.3109/14756360903049059 BindingDB Entry DOI: 10.7270/Q22R3QJT
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50220630 (5-(4-methoxycarbonyl-biphenyl-4-ylmethyl)-4-hydrox...) Show SMILES COC(=O)c1ccc(cc1)-c1ccc(CC2(C)SC(=O)C(C)C2=O)cc1 Show InChI InChI=1S/C21H20O4S/c1-13-18(22)21(2,26-20(13)24)12-14-4-6-15(7-5-14)16-8-10-17(11-9-16)19(23)25-3/h4-11,13H,12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	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)	BDBM233091 (mtFabH inhibitor, 38) Show SMILES CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccc(cc2)C(N)=O)SC1=O |c:1| Show InChI InChI=1S/C20H19NO3S/c1-12-17(22)20(2,25-19(12)24)11-13-3-5-14(6-4-13)15-7-9-16(10-8-15)18(21)23/h3-10,22H,11H2,1-2H3,(H2,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University					Assay Description The biological activities of the compounds were evaluated in the same laboratory. Biological activities measured as IC50 were converted to pIC50 (...				J Enzyme Inhib Med Chem 25: 240-9 (2010) Article DOI: 10.3109/14756360903049059 BindingDB Entry DOI: 10.7270/Q22R3QJT
					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 3 (Mycobacterium tuberculosis)	BDBM50220624 (4'-(3-hydroxy-2,4-dimethyl-5-oxo-2,5-dihydro-thiop...) Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(cc2)C(N)=O)C1=O Show InChI InChI=1S/C20H19NO3S/c1-12-17(22)20(2,25-19(12)24)11-13-3-5-14(6-4-13)15-7-9-16(10-8-15)18(21)23/h3-10,12H,11H2,1-2H3,(H2,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	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)	BDBM233056 (mtFabH inhibitor, 3) Show SMILES CC(=O)c1ccc(cc1)C#CC1(C)SC(=O)C(C)=C1O |c:18| Show InChI InChI=1S/C16H14O3S/c1-10-14(18)16(3,20-15(10)19)9-8-12-4-6-13(7-5-12)11(2)17/h4-7,18H,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University					Assay Description The biological activities of the compounds were evaluated in the same laboratory. Biological activities measured as IC50 were converted to pIC50 (...				J Enzyme Inhib Med Chem 25: 240-9 (2010) Article DOI: 10.3109/14756360903049059 BindingDB Entry DOI: 10.7270/Q22R3QJT
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM233057 (mtFabH inhibitor, 4) Show SMILES CC(=O)c1ccc(cc1O)C#CC1(C)SC(=O)C(C)=C1O |c:19| Show InChI InChI=1S/C16H14O4S/c1-9-14(19)16(3,21-15(9)20)7-6-11-4-5-12(10(2)17)13(18)8-11/h4-5,8,18-19H,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University					Assay Description The biological activities of the compounds were evaluated in the same laboratory. Biological activities measured as IC50 were converted to pIC50 (...				J Enzyme Inhib Med Chem 25: 240-9 (2010) Article DOI: 10.3109/14756360903049059 BindingDB Entry DOI: 10.7270/Q22R3QJT
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50220629 (4'-(3-hydroxy-2,4-dimethyl-5-oxo-2,5-dihydro-thiop...) Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(cc2)C(O)=O)C1=O Show InChI InChI=1S/C20H18O4S/c1-12-17(21)20(2,25-19(12)24)11-13-3-5-14(6-4-13)15-7-9-16(10-8-15)18(22)23/h3-10,12H,11H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	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)	BDBM233090 (mtFabH inhibitor, 37) Show SMILES CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccc(cc2)C(O)=O)SC1=O |c:1| Show InChI InChI=1S/C20H18O4S/c1-12-17(21)20(2,25-19(12)24)11-13-3-5-14(6-4-13)15-7-9-16(10-8-15)18(22)23/h3-10,21H,11H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University					Assay Description The biological activities of the compounds were evaluated in the same laboratory. Biological activities measured as IC50 were converted to pIC50 (...				J Enzyme Inhib Med Chem 25: 240-9 (2010) Article DOI: 10.3109/14756360903049059 BindingDB Entry DOI: 10.7270/Q22R3QJT
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM233076 (mtFabH inhibitor, 7) Show SMILES CC1=C(O)C(C)(SC1=O)C#CCc1ccc(cc1)C#N |c:1| Show InChI InChI=1S/C16H13NO2S/c1-11-14(18)16(2,20-15(11)19)9-3-4-12-5-7-13(10-17)8-6-12/h5-8,18H,4H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University					Assay Description The biological activities of the compounds were evaluated in the same laboratory. Biological activities measured as IC50 were converted to pIC50 (...				J Enzyme Inhib Med Chem 25: 240-9 (2010) Article DOI: 10.3109/14756360903049059 BindingDB Entry DOI: 10.7270/Q22R3QJT
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50220625 (4-hydroxy-3,5-dimethyl-5-(4-phenoxy-benzyl)-5H-thi...) Show SMILES CC1C(=O)SC(C)(Cc2ccc(Oc3ccccc3)cc2)C1=O Show InChI InChI=1S/C19H18O3S/c1-13-17(20)19(2,23-18(13)21)12-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+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)	BDBM233070 (mtFabH inhibitor, 24) Show SMILES CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccc(COCc3ccccc3)cc2)SC1=O |c:1| Show InChI InChI=1S/C27H26O3S/c1-19-25(28)27(2,31-26(19)29)16-20-8-12-23(13-9-20)24-14-10-22(11-15-24)18-30-17-21-6-4-3-5-7-21/h3-15,28H,16-18H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University					Assay Description The biological activities of the compounds were evaluated in the same laboratory. Biological activities measured as IC50 were converted to pIC50 (...				J Enzyme Inhib Med Chem 25: 240-9 (2010) Article DOI: 10.3109/14756360903049059 BindingDB Entry DOI: 10.7270/Q22R3QJT
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50134362 (5-(4'-Benzyloxymethyl-biphenyl-4-ylmethyl)-4-hydro...) Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(COCc3ccccc3)cc2)C1=O Show InChI InChI=1S/C27H26O3S/c1-19-25(28)27(2,31-26(19)29)16-20-8-12-23(13-9-20)24-14-10-22(11-15-24)18-30-17-21-6-4-3-5-7-21/h3-15,19H,16-18H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Birmingham Curated by ChEMBL					Assay Description In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme.				Bioorg Med Chem Lett 13: 3685-8 (2003) BindingDB Entry DOI: 10.7270/Q20864R5
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50134348 (4-Hydroxy-5-(4'-hydroxymethyl-biphenyl-4-ylmethyl)...) Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(CO)cc2)C1=O Show InChI InChI=1S/C20H20O3S/c1-13-18(22)20(2,24-19(13)23)11-14-3-7-16(8-4-14)17-9-5-15(12-21)6-10-17/h3-10,13,21H,11-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Birmingham Curated by ChEMBL					Assay Description In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme.				Bioorg Med Chem Lett 13: 3685-8 (2003) BindingDB Entry DOI: 10.7270/Q20864R5
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM233069 (mtFabH inhibitor, 23) Show SMILES CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccc(CO)cc2)SC1=O |c:1| Show InChI InChI=1S/C20H20O3S/c1-13-18(22)20(2,24-19(13)23)11-14-3-7-16(8-4-14)17-9-5-15(12-21)6-10-17/h3-10,21-22H,11-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University					Assay Description The biological activities of the compounds were evaluated in the same laboratory. Biological activities measured as IC50 were converted to pIC50 (...				J Enzyme Inhib Med Chem 25: 240-9 (2010) Article DOI: 10.3109/14756360903049059 BindingDB Entry DOI: 10.7270/Q22R3QJT
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50134356 (5-(4'-tert-Butyl-biphenyl-4-ylmethyl)-4-hydroxy-3,...) Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(cc2)C(C)(C)C)C1=O Show InChI InChI=1S/C23H26O2S/c1-15-20(24)23(5,26-21(15)25)14-16-6-8-17(9-7-16)18-10-12-19(13-11-18)22(2,3)4/h6-13,15H,14H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Birmingham Curated by ChEMBL					Assay Description In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme.				Bioorg Med Chem Lett 13: 3685-8 (2003) BindingDB Entry DOI: 10.7270/Q20864R5
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM233067 (mtFabH inhibitor, 21) Show SMILES CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccc(cc2)C(C)(C)C)SC1=O |c:1| Show InChI InChI=1S/C23H26O2S/c1-15-20(24)23(5,26-21(15)25)14-16-6-8-17(9-7-16)18-10-12-19(13-11-18)22(2,3)4/h6-13,24H,14H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University					Assay Description The biological activities of the compounds were evaluated in the same laboratory. Biological activities measured as IC50 were converted to pIC50 (...				J Enzyme Inhib Med Chem 25: 240-9 (2010) Article DOI: 10.3109/14756360903049059 BindingDB Entry DOI: 10.7270/Q22R3QJT
					More data for this Ligand-Target Pair
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)	BDBM50134352 (4'-(3-Hydroxy-2,4-dimethyl-5-oxo-2,5-dihydro-thiop...) Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(C=O)cc2)C1=O Show InChI InChI=1S/C20H18O3S/c1-13-18(22)20(2,24-19(13)23)11-14-3-7-16(8-4-14)17-9-5-15(12-21)6-10-17/h3-10,12-13H,11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Birmingham Curated by ChEMBL					Assay Description In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme.				Bioorg Med Chem Lett 13: 3685-8 (2003) BindingDB Entry DOI: 10.7270/Q20864R5
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM233068 (mtFabH inhibitor, 22) Show SMILES CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccc(C=O)cc2)SC1=O |c:1| Show InChI InChI=1S/C20H18O3S/c1-13-18(22)20(2,24-19(13)23)11-14-3-7-16(8-4-14)17-9-5-15(12-21)6-10-17/h3-10,12,22H,11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University					Assay Description The biological activities of the compounds were evaluated in the same laboratory. Biological activities measured as IC50 were converted to pIC50 (...				J Enzyme Inhib Med Chem 25: 240-9 (2010) Article DOI: 10.3109/14756360903049059 BindingDB Entry DOI: 10.7270/Q22R3QJT
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM68277 (Octyl-CoA disulfide 4) Show SMILES CCCCCCCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C28H50N7O16P3S2/c1-4-5-6-7-8-9-13-55-56-14-12-30-19(36)10-11-31-26(39)23(38)28(2,3)50-54(45,46)51-53(43,44)47-15-18-22(49-52(40,41)42)21(37)27(48-18)35-17-34-20-24(29)32-16-33-25(20)35/h16-18,21-23,27,37-38H,4-15H2,1-3H3,(H,30,36)(H,31,39)(H,43,44)(H,45,46)(H2,29,32,33)(H2,40,41,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.01E+4	n/a	n/a	n/a	n/a	7.0	37
Portland State University					Assay Description Escherichia coli FabH assays were carried out using standard coupled trichloroacetic acid precipitation assay to determine the rate formation of radi...				Chem Biol 14: 513-24 (2007) Article DOI: 10.1016/j.chembiol.2007.03.013 BindingDB Entry DOI: 10.7270/Q2WW7G3F
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM233075 (mtFabH inhibitor, 6) Show SMILES CC1=C(O)C(C)(SC1=O)C#CCc1ccc(cc1)[N+]([O-])=O |c:1| Show InChI InChI=1S/C15H13NO4S/c1-10-13(17)15(2,21-14(10)18)9-3-4-11-5-7-12(8-6-11)16(19)20/h5-8,17H,4H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University					Assay Description The biological activities of the compounds were evaluated in the same laboratory. Biological activities measured as IC50 were converted to pIC50 (...				J Enzyme Inhib Med Chem 25: 240-9 (2010) Article DOI: 10.3109/14756360903049059 BindingDB Entry DOI: 10.7270/Q22R3QJT
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM233060 (mtFabH inhibitor, 11) Show SMILES CC1=C(O)C(C)(Cc2ccc(cc2)C(C)(C)C)SC1=O |c:1| Show InChI InChI=1S/C17H22O2S/c1-11-14(18)17(5,20-15(11)19)10-12-6-8-13(9-7-12)16(2,3)4/h6-9,18H,10H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University					Assay Description The biological activities of the compounds were evaluated in the same laboratory. Biological activities measured as IC50 were converted to pIC50 (...				J Enzyme Inhib Med Chem 25: 240-9 (2010) Article DOI: 10.3109/14756360903049059 BindingDB Entry DOI: 10.7270/Q22R3QJT
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50134355 (5-(4-tert-Butyl-benzyl)-4-hydroxy-3,5-dimethyl-5H-...) Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)C(C)(C)C)C1=O Show InChI InChI=1S/C17H22O2S/c1-11-14(18)17(5,20-15(11)19)10-12-6-8-13(9-7-12)16(2,3)4/h6-9,11H,10H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Birmingham Curated by ChEMBL					Assay Description In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme.				Bioorg Med Chem Lett 13: 3685-8 (2003) BindingDB Entry DOI: 10.7270/Q20864R5
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM233058 (mtFabH inhibitor, 8) Show SMILES CC1=C(O)C(C)(SC1=O)C#Cc1ccccc1C#N |c:1| Show InChI InChI=1S/C15H11NO2S/c1-10-13(17)15(2,19-14(10)18)8-7-11-5-3-4-6-12(11)9-16/h3-6,17H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University					Assay Description The biological activities of the compounds were evaluated in the same laboratory. Biological activities measured as IC50 were converted to pIC50 (...				J Enzyme Inhib Med Chem 25: 240-9 (2010) Article DOI: 10.3109/14756360903049059 BindingDB Entry DOI: 10.7270/Q22R3QJT
					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)	BDBM50180141 (3,5-dimethyl-5-dodecyl-4-hydroxy-5H-thiophen-2-one...) Show SMILES CCCCCCCCCCCCC1(C)SC(=O)C(C)C1=O Show InChI InChI=1S/C18H32O2S/c1-4-5-6-7-8-9-10-11-12-13-14-18(3)16(19)15(2)17(20)21-18/h15H,4-14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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 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)	BDBM50134361 (5-Biphenyl-4-ylmethyl-4-hydroxy-3,5-dimethyl-5H-th...) Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccccc2)C1=O Show InChI InChI=1S/C19H18O2S/c1-13-17(20)19(2,22-18(13)21)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Birmingham Curated by ChEMBL					Assay Description In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme.				Bioorg Med Chem Lett 13: 3685-8 (2003) BindingDB Entry DOI: 10.7270/Q20864R5
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM233064 (mtFabH inhibitor, 17) Show SMILES CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccccc2)SC1=O |c:1| Show InChI InChI=1S/C19H18O2S/c1-13-17(20)19(2,22-18(13)21)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,20H,12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University					Assay Description The biological activities of the compounds were evaluated in the same laboratory. Biological activities measured as IC50 were converted to pIC50 (...				J Enzyme Inhib Med Chem 25: 240-9 (2010) Article DOI: 10.3109/14756360903049059 BindingDB Entry DOI: 10.7270/Q22R3QJT
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM233066 (mtFabH inhibitor, 20) Show SMILES CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccc(C)cc2)SC1=O |c:1| Show InChI InChI=1S/C20H20O2S/c1-13-4-8-16(9-5-13)17-10-6-15(7-11-17)12-20(3)18(21)14(2)19(22)23-20/h4-11,21H,12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University					Assay Description The biological activities of the compounds were evaluated in the same laboratory. Biological activities measured as IC50 were converted to pIC50 (...				J Enzyme Inhib Med Chem 25: 240-9 (2010) Article DOI: 10.3109/14756360903049059 BindingDB Entry DOI: 10.7270/Q22R3QJT
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM233079 (mtFabH inhibitor, 14) Show SMILES CC1=C(O)C(C)(Cc2cccc(Oc3ccccc3)c2)SC1=O |c:1| Show InChI InChI=1S/C19H18O3S/c1-13-17(20)19(2,23-18(13)21)12-14-7-6-10-16(11-14)22-15-8-4-3-5-9-15/h3-11,20H,12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University					Assay Description The biological activities of the compounds were evaluated in the same laboratory. Biological activities measured as IC50 were converted to pIC50 (...				J Enzyme Inhib Med Chem 25: 240-9 (2010) Article DOI: 10.3109/14756360903049059 BindingDB Entry DOI: 10.7270/Q22R3QJT
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50134351 (4-Hydroxy-3,5-dimethyl-5-(3-phenoxy-benzyl)-5H-thi...) Show SMILES CC1C(=O)SC(C)(Cc2cccc(Oc3ccccc3)c2)C1=O Show InChI InChI=1S/C19H18O3S/c1-13-17(20)19(2,23-18(13)21)12-14-7-6-10-16(11-14)22-15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Birmingham Curated by ChEMBL					Assay Description In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme.				Bioorg Med Chem Lett 13: 3685-8 (2003) BindingDB Entry DOI: 10.7270/Q20864R5
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50134360 (4-Hydroxy-3,5-dimethyl-5-(4'-methyl-biphenyl-4-ylm...) Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(C)cc2)C1=O Show InChI InChI=1S/C20H20O2S/c1-13-4-8-16(9-5-13)17-10-6-15(7-11-17)12-20(3)18(21)14(2)19(22)23-20/h4-11,14H,12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Birmingham Curated by ChEMBL					Assay Description In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme.				Bioorg Med Chem Lett 13: 3685-8 (2003) BindingDB Entry DOI: 10.7270/Q20864R5
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50220627 (5-(4'-acetyl-biphenyl-4-ylmethyl)-4-hydroxy-3,5-di...) Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(cc2)C(C)=O)C1=O Show InChI InChI=1S/C21H20O3S/c1-13-19(23)21(3,25-20(13)24)12-15-4-6-17(7-5-15)18-10-8-16(9-11-18)14(2)22/h4-11,13H,12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+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)	BDBM50180122 (3,5-dimethyl-4-hydroxy-5-(1-methylundecyl)-5H-thio...) Show SMILES CCCCCCCCCCC(C)C1(C)SC(=O)C(C)C1=O Show InChI InChI=1S/C18H32O2S/c1-5-6-7-8-9-10-11-12-13-14(2)18(4)16(19)15(3)17(20)21-18/h14-15H,5-13H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+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 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

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