Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 8094   

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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	BDBM233087 (mtFabH inhibitor, 34) Show SMILES CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccc(cc2)-c2ccccc2)SC1=O |c:1| Show InChI InChI=1S/C25H22O2S/c1-17-23(26)25(2,28-24(17)27)16-18-8-10-20(11-9-18)22-14-12-21(13-15-22)19-6-4-3-5-7-19/h3-15,26H,16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80E+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)	BDBM233074 (mtFabH inhibitor, 5) Show SMILES COC(=O)c1ccc(CC#CC2(C)SC(=O)C(C)=C2O)cc1 |c:17| Show InChI InChI=1S/C17H16O4S/c1-11-14(18)17(2,22-16(11)20)10-4-5-12-6-8-13(9-7-12)15(19)21-3/h6-9,18H,5H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.40E+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)	BDBM233054 (Thiolactomycin (TLM, 1)) Show SMILES C\C(C=C)=C/C1(C)SC(=O)C(C)=C1O |c:11| Show InChI InChI=1S/C11H14O2S/c1-5-7(2)6-11(4)9(12)8(3)10(13)14-11/h5-6,12H,1H2,2-4H3/b7-6+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	7.49E+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)	BDBM233072 (mtFabH inhibitor, 26) Show SMILES CCCCCCCCCCCCCC1(C)SC(=O)C(C)=C1O |c:19| Show InChI InChI=1S/C19H34O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-19(3)17(20)16(2)18(21)22-19/h20H,4-15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+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)	BDBM233089 (mtFabH inhibitor, 36) Show SMILES CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccc(C)s2)SC1=O |c:1| Show InChI InChI=1S/C18H18O2S2/c1-11-4-9-15(21-11)14-7-5-13(6-8-14)10-18(3)16(19)12(2)17(20)22-18/h4-9,19H,10H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.60E+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)	BDBM233073 (mtFabH inhibitor, 27) Show SMILES CC1=C(O)C(C)(Cc2ccc(cc2)C(F)(F)F)SC1=O |c:1| Show InChI InChI=1S/C14H13F3O2S/c1-8-11(18)13(2,20-12(8)19)7-9-3-5-10(6-4-9)14(15,16)17/h3-6,18H,7H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+5	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)	BDBM233055 (mtFabH inhibitor, 2) Show SMILES CC1=C(O)C(C)(SC1=O)C#C |c:1| Show InChI InChI=1S/C8H8O2S/c1-4-8(3)6(9)5(2)7(10)11-8/h1,9H,2-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+5	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)	BDBM233086 (mtFabH inhibitor, 33) Show SMILES CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccc(F)cc2)SC1=O |c:1| Show InChI InChI=1S/C19H17FO2S/c1-12-17(21)19(2,23-18(12)22)11-13-3-5-14(6-4-13)15-7-9-16(20)10-8-15/h3-10,21H,11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.05E+5	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)	BDBM233059 (mtFabH inhibitor, 10) Show SMILES CC1=C(O)C(C)(Cc2ccc(C)cc2)SC1=O |c:1| Show InChI InChI=1S/C14H16O2S/c1-9-4-6-11(7-5-9)8-14(3)12(15)10(2)13(16)17-14/h4-7,15H,8H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.12E+5	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)	BDBM233071 (mtFabH inhibitor, 25) Show SMILES CC(=O)Nc1cccc(c1)-c1ccc(CC2(C)SC(=O)C(C)=C2O)cc1 |c:22| Show InChI InChI=1S/C21H21NO3S/c1-13-19(24)21(3,26-20(13)25)12-15-7-9-16(10-8-15)17-5-4-6-18(11-17)22-14(2)23/h4-11,24H,12H2,1-3H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.19E+5	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)	BDBM233081 (mtFabH inhibitor, 28) Show SMILES CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccc(Cl)cc2)SC1=O |c:1| Show InChI InChI=1S/C19H17ClO2S/c1-12-17(21)19(2,23-18(12)22)11-13-3-5-14(6-4-13)15-7-9-16(20)10-8-15/h3-10,21H,11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+5	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)	BDBM233084 (mtFabH inhibitor, 31) Show SMILES CC1=C(O)C(C)(Cc2ccc(cc2)-c2cc(F)cc(F)c2)SC1=O |c:1| Show InChI InChI=1S/C19H16F2O2S/c1-11-17(22)19(2,24-18(11)23)10-12-3-5-13(6-4-12)14-7-15(20)9-16(21)8-14/h3-9,22H,10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.35E+5	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)	BDBM233083 (mtFabH inhibitor, 30) Show SMILES CC(=O)c1cccc(c1)-c1ccc(CC2(C)SC(=O)C(C)=C2O)cc1 |c:21| Show InChI InChI=1S/C21H20O3S/c1-13-19(23)21(3,25-20(13)24)12-15-7-9-16(10-8-15)18-6-4-5-17(11-18)14(2)22/h4-11,23H,12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+5	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)	BDBM233065 (mtFabH inhibitor, 19) Show SMILES CC1=C(O)C(C)(Cc2ccc(I)cc2)SC1=O |c:1| Show InChI InChI=1S/C13H13IO2S/c1-8-11(15)13(2,17-12(8)16)7-9-3-5-10(14)6-4-9/h3-6,15H,7H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.53E+5	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)	BDBM233061 (mtFabH inhibitor, 12) Show SMILES COc1ccc(CC2(C)SC(=O)C(C)=C2O)cc1 |c:13| Show InChI InChI=1S/C14H16O3S/c1-9-12(15)14(2,18-13(9)16)8-10-4-6-11(17-3)7-5-10/h4-7,15H,8H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.55E+5	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)	BDBM233082 (mtFabH inhibitor, 29) Show SMILES CC1=C(O)C(C)(Cc2ccc(cc2)-c2cccc(Cl)c2)SC1=O |c:1| Show InChI InChI=1S/C19H17ClO2S/c1-12-17(21)19(2,23-18(12)22)11-13-6-8-14(9-7-13)15-4-3-5-16(20)10-15/h3-10,21H,11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.56E+5	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)	BDBM233088 (mtFabH inhibitor, 35) Show SMILES CC(=O)c1ccc(s1)-c1ccc(CC2(C)SC(=O)C(C)=C2O)cc1 |c:20| Show InChI InChI=1S/C19H18O3S2/c1-11-17(21)19(3,24-18(11)22)10-13-4-6-14(7-5-13)16-9-8-15(23-16)12(2)20/h4-9,21H,10H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+5	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)	BDBM233085 (mtFabH inhibitor, 32) Show SMILES CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccc(F)c(F)c2)SC1=O |c:1| Show InChI InChI=1S/C19H16F2O2S/c1-11-17(22)19(2,24-18(11)23)10-12-3-5-13(6-4-12)14-7-8-15(20)16(21)9-14/h3-9,22H,10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.07E+5	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)	BDBM233080 (mtFabH inhibitor, 18) Show SMILES CC1=C(O)C(C)(Cc2cccc(c2)-c2ccccc2)SC1=O |c:1| Show InChI InChI=1S/C19H18O2S/c1-13-17(20)19(2,22-18(13)21)12-14-7-6-10-16(11-14)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	2.15E+5	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)	BDBM233062 (mtFabH inhibitor, 15) Show SMILES CC1=C(O)C(C)(Cc2ccc(F)cc2F)SC1=O |c:1| Show InChI InChI=1S/C13H12F2O2S/c1-7-11(16)13(2,18-12(7)17)6-8-3-4-9(14)5-10(8)15/h3-5,16H,6H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.46E+5	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)	BDBM233077 (mtFabH inhibitor, 9) Show SMILES CC1=C(O)C(C)(Cc2ccccc2)SC1=O |c:1| Show InChI InChI=1S/C13H14O2S/c1-9-11(14)13(2,16-12(9)15)8-10-6-4-3-5-7-10/h3-7,14H,8H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+5	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)	BDBM233063 (mtFabH inhibitor, 16) Show SMILES CC1=C(O)C(C)(Cc2cc(F)cc(F)c2)SC1=O |c:1| Show InChI InChI=1S/C13H12F2O2S/c1-7-11(16)13(2,18-12(7)17)6-8-3-9(14)5-10(15)4-8/h3-5,16H,6H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.63E+5	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)	BDBM233093 (mtFabH inhibitor, 40) Show SMILES CC1=C(O)C(C)(Cc2cccc(c2)C(=O)c2ccccc2)SC1=O |c:1| Show InChI InChI=1S/C20H18O3S/c1-13-18(22)20(2,24-19(13)23)12-14-7-6-10-16(11-14)17(21)15-8-4-3-5-9-15/h3-11,22H,12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.83E+5	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)	BDBM233078 (mtFabH inhibitor, 13) Show SMILES COc1ccc(cc1)C1(C)SC(=O)C(C)=C1O |c:15| Show InChI InChI=1S/C13H14O3S/c1-8-11(14)13(2,17-12(8)15)9-4-6-10(16-3)7-5-9/h4-7,14H,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+5	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