Compile Data Set for Download or QSAR

Found 16 hits with Last Name = 'snaith' and Initial = 'js'   

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)	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)	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)	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)	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)	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)	BDBM50220634 (4-hydroxy-3,5-dimethyl-5-[1,1';4',1'']terphenyl-4-...) Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(cc2)-c2ccccc2)C1=O 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/h3-15,17H,16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80E+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	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)	BDBM50220632 (4-hydroxy-3,5-dimethyl-5-[4-(5-methyl-thiophen-2-y...) Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(C)s2)C1=O 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/h4-9,12H,10H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60E+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)	BDBM50220622 (5-(4'-fluoro-biphenyl-4-ylmethyl)-4-hydroxy-3,5-di...) Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(F)cc2)C1=O 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/h3-10,12H,11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+5	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)	BDBM50220631 (5-(4'-chloro-biphenyl-4-ylmethyl)-4-hydroxy-3,5-di...) Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(Cl)cc2)C1=O 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/h3-10,12H,11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+5	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)	BDBM50220626 (5-(3',5'-difluoro-biphenyl-4-ylmethyl)-4-hydroxy-3...) Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)-c2cc(F)cc(F)c2)C1=O 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/h3-9,11H,10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+5	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)	BDBM50220619 (5-(3'-acetyl-biphenyl-4-ylmethyl)-4-hydroxy-3,5-di...) Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)-c2cccc(c2)C(C)=O)C1=O 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/h4-11,13H,12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+5	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)	BDBM50220623 (5-(3'-chloro-biphenyl-4-ylmethyl)-4-hydroxy-3,5-di...) Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)-c2cccc(Cl)c2)C1=O 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/h3-10,12H,11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.56E+5	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)	BDBM50220633 (5-[4-(5-acetyl-thiophen-2-yl)-benzyl]-4-hydroxy-3,...) Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(s2)C(C)=O)C1=O 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/h4-9,11H,10H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+5	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)	BDBM50220628 (5-(3',4'-difluoro-biphenyl-4-ylmethyl)-4-hydroxy-3...) Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(F)c(F)c2)C1=O 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/h3-9,11H,10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.07E+5	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)	BDBM50220621 (5-(4-benzoyl-benzyl)-4-hydroxy-3,5-dimethyl-5H-thi...) Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)C(=O)c2ccccc2)C1=O Show InChI InChI=1S/C20H18O3S/c1-13-18(22)20(2,24-19(13)23)12-14-8-10-16(11-9-14)17(21)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	2.83E+5	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