Compile Data Set for Download or QSAR

Found 136 hits with Last Name = 'ashman' and Initial = 's'   

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
ATP-citrate synthase (Homo sapiens (Human))	BDBM50066694 ((S)-2-[(R)-7-(3-Chloro-9H-fluoren-9-yl)-2-hydroxy-...) Show SMILES O[C@H](CCCCCC1c2ccccc2-c2cc(Cl)ccc12)C[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C24H27ClO6/c25-15-10-11-20-18(17-8-4-5-9-19(17)21(20)12-15)7-3-1-2-6-16(26)13-24(31,23(29)30)14-22(27)28/h4-5,8-12,16,18,26,31H,1-3,6-7,13-14H2,(H,27,28)(H,29,30)/t16-,18?,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50066677 ((S)-2-{(R)-8-[4-Chloro-2-(3,4-dimethyl-pyrrol-1-yl...) Show SMILES Cc1cn(cc1C)-c1cc(Cl)ccc1CCCCCC[C@@H](O)C[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C24H32ClNO6/c1-16-14-26(15-17(16)2)21-11-19(25)10-9-18(21)7-5-3-4-6-8-20(27)12-24(32,23(30)31)13-22(28)29/h9-11,14-15,20,27,32H,3-8,12-13H2,1-2H3,(H,28,29)(H,30,31)/t20-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50066677 ((S)-2-{(R)-8-[4-Chloro-2-(3,4-dimethyl-pyrrol-1-yl...) Show SMILES Cc1cn(cc1C)-c1cc(Cl)ccc1CCCCCC[C@@H](O)C[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C24H32ClNO6/c1-16-14-26(15-17(16)2)21-11-19(25)10-9-18(21)7-5-3-4-6-8-20(27)12-24(32,23(30)31)13-22(28)29/h9-11,14-15,20,27,32H,3-8,12-13H2,1-2H3,(H,28,29)(H,30,31)/t20-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50066673 ((S)-2-[(R)-7-(5-Chloro-2-phenyl-indol-1-yl)-2-hydr...) Show SMILES O[C@H](CCCCCn1c(cc2cc(Cl)ccc12)-c1ccccc1)C[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C25H28ClNO6/c26-19-10-11-21-18(13-19)14-22(17-7-3-1-4-8-17)27(21)12-6-2-5-9-20(28)15-25(33,24(31)32)16-23(29)30/h1,3-4,7-8,10-11,13-14,20,28,33H,2,5-6,9,12,15-16H2,(H,29,30)(H,31,32)/t20-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50066676 ((2S,3R)-2-[(R)-8-(2,4-Dichloro-phenyl)-2-hydroxy-o...) Show SMILES O[C@H](CCCCCCc1ccc(Cl)cc1Cl)C[C@](O)([C@@H](O)C(O)=O)C(O)=O Show InChI InChI=1S/C18H24Cl2O7/c19-12-8-7-11(14(20)9-12)5-3-1-2-4-6-13(21)10-18(27,17(25)26)15(22)16(23)24/h7-9,13,15,21-22,27H,1-6,10H2,(H,23,24)(H,25,26)/t13-,15+,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50066688 ((2S,3S)-2-[(R)-8-(2,4-Dichloro-phenyl)-2-hydroxy-o...) Show SMILES O[C@H](CCCCCCc1ccc(Cl)cc1Cl)C[C@](O)([C@H](O)C(O)=O)C(O)=O Show InChI InChI=1S/C18H24Cl2O7/c19-12-8-7-11(14(20)9-12)5-3-1-2-4-6-13(21)10-18(27,17(25)26)15(22)16(23)24/h7-9,13,15,21-22,27H,1-6,10H2,(H,23,24)(H,25,26)/t13-,15-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Rattus norvegicus)	BDBM50066683 ((S)-2-((R)-8-(2,4-dichlorophenyl)-2-hydroxyoctyl)-...) Show SMILES O[C@H](CCCCCCc1ccc(Cl)cc1Cl)C[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C18H24Cl2O6/c19-13-8-7-12(15(20)9-13)5-3-1-2-4-6-14(21)10-18(26,17(24)25)11-16(22)23/h7-9,14,21,26H,1-6,10-11H2,(H,22,23)(H,24,25)/t14-,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity was tested agianst rat ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Rattus norvegicus)	BDBM50066683 ((S)-2-((R)-8-(2,4-dichlorophenyl)-2-hydroxyoctyl)-...) Show SMILES O[C@H](CCCCCCc1ccc(Cl)cc1Cl)C[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C18H24Cl2O6/c19-13-8-7-12(15(20)9-13)5-3-1-2-4-6-14(21)10-18(26,17(24)25)11-16(22)23/h7-9,14,21,26H,1-6,10-11H2,(H,22,23)(H,24,25)/t14-,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity was tested agianst rat ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50066682 ((S)-2-[(R)-7-(3-Chloro-carbazol-9-yl)-2-hydroxy-he...) Show SMILES O[C@H](CCCCCn1c2ccccc2c2cc(Cl)ccc12)C[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C23H26ClNO6/c24-15-9-10-20-18(12-15)17-7-3-4-8-19(17)25(20)11-5-1-2-6-16(26)13-23(31,22(29)30)14-21(27)28/h3-4,7-10,12,16,26,31H,1-2,5-6,11,13-14H2,(H,27,28)(H,29,30)/t16-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50066689 ((S)-2-[(R)-8-(5-Chloro-biphenyl-2-yl)-2-hydroxy-oc...) Show SMILES O[C@H](CCCCCCc1ccc(Cl)cc1-c1ccccc1)C[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C24H29ClO6/c25-19-13-12-18(21(14-19)17-8-5-3-6-9-17)10-4-1-2-7-11-20(26)15-24(31,23(29)30)16-22(27)28/h3,5-6,8-9,12-14,20,26,31H,1-2,4,7,10-11,15-16H2,(H,27,28)(H,29,30)/t20-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50066683 ((S)-2-((R)-8-(2,4-dichlorophenyl)-2-hydroxyoctyl)-...) Show SMILES O[C@H](CCCCCCc1ccc(Cl)cc1Cl)C[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C18H24Cl2O6/c19-13-8-7-12(15(20)9-13)5-3-1-2-4-6-14(21)10-18(26,17(24)25)11-16(22)23/h7-9,14,21,26H,1-6,10-11H2,(H,22,23)(H,24,25)/t14-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50066683 ((S)-2-((R)-8-(2,4-dichlorophenyl)-2-hydroxyoctyl)-...) Show SMILES O[C@H](CCCCCCc1ccc(Cl)cc1Cl)C[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C18H24Cl2O6/c19-13-8-7-12(15(20)9-13)5-3-1-2-4-6-14(21)10-18(26,17(24)25)11-16(22)23/h7-9,14,21,26H,1-6,10-11H2,(H,22,23)(H,24,25)/t14-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50066683 ((S)-2-((R)-8-(2,4-dichlorophenyl)-2-hydroxyoctyl)-...) Show SMILES O[C@H](CCCCCCc1ccc(Cl)cc1Cl)C[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C18H24Cl2O6/c19-13-8-7-12(15(20)9-13)5-3-1-2-4-6-14(21)10-18(26,17(24)25)11-16(22)23/h7-9,14,21,26H,1-6,10-11H2,(H,22,23)(H,24,25)/t14-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity was tested agianst human recombinant ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50066672 ((S)-2-[(R)-8-(2-Benzyloxy-4-chloro-phenyl)-2-hydro...) Show SMILES O[C@H](CCCCCCc1ccc(Cl)cc1OCc1ccccc1)C[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C25H31ClO7/c26-20-13-12-19(22(14-20)33-17-18-8-4-3-5-9-18)10-6-1-2-7-11-21(27)15-25(32,24(30)31)16-23(28)29/h3-5,8-9,12-14,21,27,32H,1-2,6-7,10-11,15-17H2,(H,28,29)(H,30,31)/t21-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Rattus norvegicus)	BDBM50066684 ((S)-2-[8-(2,4-Dichloro-phenyl)-2-oxo-octyl]-2-hydr...) Show SMILES OC(=O)C[C@@](O)(CC(=O)CCCCCCc1ccc(Cl)cc1Cl)C(O)=O Show InChI InChI=1S/C18H22Cl2O6/c19-13-8-7-12(15(20)9-13)5-3-1-2-4-6-14(21)10-18(26,17(24)25)11-16(22)23/h7-9,26H,1-6,10-11H2,(H,22,23)(H,24,25)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity was tested agianst rat ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50066685 ((S)-2-[(R)-7-(5,7-Dichloro-indol-1-yl)-2-hydroxy-h...) Show SMILES O[C@H](CCCCCn1ccc2cc(Cl)cc(Cl)c12)C[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C19H23Cl2NO6/c20-13-8-12-5-7-22(17(12)15(21)9-13)6-3-1-2-4-14(23)10-19(28,18(26)27)11-16(24)25/h5,7-9,14,23,28H,1-4,6,10-11H2,(H,24,25)(H,26,27)/t14-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50066692 ((S)-2-((S)-8-(2,4-dichlorophenyl)-2-hydroxyoctyl)-...) Show SMILES O[C@@H](CCCCCCc1ccc(Cl)cc1Cl)C[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C18H24Cl2O6/c19-13-8-7-12(15(20)9-13)5-3-1-2-4-6-14(21)10-18(26,17(24)25)11-16(22)23/h7-9,14,21,26H,1-6,10-11H2,(H,22,23)(H,24,25)/t14-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50066680 ((S)-2-[(R)-8-(5-Chloro-4'-methyl-biphenyl-2-yl)-2-...) Show SMILES Cc1ccc(cc1)-c1cc(Cl)ccc1CCCCCC[C@@H](O)C[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C25H31ClO6/c1-17-8-10-19(11-9-17)22-14-20(26)13-12-18(22)6-4-2-3-5-7-21(27)15-25(32,24(30)31)16-23(28)29/h8-14,21,27,32H,2-7,15-16H2,1H3,(H,28,29)(H,30,31)/t21-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50066687 ((S)-2-[(R)-8-(5-Chloro-4'-fluoro-biphenyl-2-yl)-2-...) Show SMILES O[C@H](CCCCCCc1ccc(Cl)cc1-c1ccc(F)cc1)C[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C24H28ClFO6/c25-18-10-7-16(21(13-18)17-8-11-19(26)12-9-17)5-3-1-2-4-6-20(27)14-24(32,23(30)31)15-22(28)29/h7-13,20,27,32H,1-6,14-15H2,(H,28,29)(H,30,31)/t20-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50066678 ((S)-2-[(R)-7-(6-Chloro-1,2,3,4-tetrahydro-carbazol...) Show SMILES O[C@H](CCCCCn1c2CCCCc2c2cc(Cl)ccc12)C[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C23H30ClNO6/c24-15-9-10-20-18(12-15)17-7-3-4-8-19(17)25(20)11-5-1-2-6-16(26)13-23(31,22(29)30)14-21(27)28/h9-10,12,16,26,31H,1-8,11,13-14H2,(H,27,28)(H,29,30)/t16-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50066686 ((S)-2-[(R)-7-(3-Benzyl-5-chloro-indol-1-yl)-2-hydr...) Show SMILES O[C@H](CCCCCn1cc(Cc2ccccc2)c2cc(Cl)ccc12)C[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C26H30ClNO6/c27-20-10-11-23-22(14-20)19(13-18-7-3-1-4-8-18)17-28(23)12-6-2-5-9-21(29)15-26(34,25(32)33)16-24(30)31/h1,3-4,7-8,10-11,14,17,21,29,34H,2,5-6,9,12-13,15-16H2,(H,30,31)(H,32,33)/t21-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Rattus norvegicus)	BDBM50066697 ((S)-2-[8-(2,4-Dichloro-phenyl)-octyl]-2-hydroxy-su...) Show SMILES OC(=O)C[C@@](O)(CCCCCCCCc1ccc(Cl)cc1Cl)C(O)=O Show InChI InChI=1S/C18H24Cl2O5/c19-14-9-8-13(15(20)11-14)7-5-3-1-2-4-6-10-18(25,17(23)24)12-16(21)22/h8-9,11,25H,1-7,10,12H2,(H,21,22)(H,23,24)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity was tested agianst ATP-Citrate Lyase (ACL) enzyme in rat				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50066693 ((S)-2-[(R)-8-(5-Chloro-indol-1-yl)-2-hydroxy-octyl...) Show SMILES O[C@H](CCCCCCn1ccc2cc(Cl)ccc12)C[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C20H26ClNO6/c21-15-6-7-17-14(11-15)8-10-22(17)9-4-2-1-3-5-16(23)12-20(28,19(26)27)13-18(24)25/h6-8,10-11,16,23,28H,1-5,9,12-13H2,(H,24,25)(H,26,27)/t16-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50066699 ((S)-2-[(R)-7-(5-Chloro-indol-1-yl)-2-hydroxy-hepty...) Show SMILES O[C@H](CCCCCn1ccc2cc(Cl)ccc12)C[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C19H24ClNO6/c20-14-5-6-16-13(10-14)7-9-21(16)8-3-1-2-4-15(22)11-19(27,18(25)26)12-17(23)24/h5-7,9-10,15,22,27H,1-4,8,11-12H2,(H,23,24)(H,25,26)/t15-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50066702 ((S)-2-[(R)-8-(4-Chloro-2-pyrrol-1-yl-phenyl)-2-hyd...) Show SMILES O[C@H](CCCCCCc1ccc(Cl)cc1-n1cccc1)C[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C22H28ClNO6/c23-17-10-9-16(19(13-17)24-11-5-6-12-24)7-3-1-2-4-8-18(25)14-22(30,21(28)29)15-20(26)27/h5-6,9-13,18,25,30H,1-4,7-8,14-15H2,(H,26,27)(H,28,29)/t18-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50066695 ((S)-2-[(R)-8-(5,4'-Dichloro-biphenyl-2-yl)-2-hydro...) Show SMILES O[C@H](CCCCCCc1ccc(Cl)cc1-c1ccc(Cl)cc1)C[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C24H28Cl2O6/c25-18-10-7-17(8-11-18)21-13-19(26)12-9-16(21)5-3-1-2-4-6-20(27)14-24(32,23(30)31)15-22(28)29/h7-13,20,27,32H,1-6,14-15H2,(H,28,29)(H,30,31)/t20-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50066700 ((S)-2-[(R)-8-(5-Chloro-4'-methoxy-biphenyl-2-yl)-2...) Show SMILES COc1ccc(cc1)-c1cc(Cl)ccc1CCCCCC[C@@H](O)C[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C25H31ClO7/c1-33-21-12-9-18(10-13-21)22-14-19(26)11-8-17(22)6-4-2-3-5-7-20(27)15-25(32,24(30)31)16-23(28)29/h8-14,20,27,32H,2-7,15-16H2,1H3,(H,28,29)(H,30,31)/t20-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50066701 ((R)-2-[(S)-8-(2,4-Dichloro-phenyl)-1-hydroxy-octyl...) Show SMILES O[C@@H](CCCCCCCc1ccc(Cl)cc1Cl)[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C18H24Cl2O6/c19-13-9-8-12(14(20)10-13)6-4-2-1-3-5-7-15(21)18(26,17(24)25)11-16(22)23/h8-10,15,21,26H,1-7,11H2,(H,22,23)(H,24,25)/t15-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50066675 ((S)-2-[(R)-7-(5-Chloro-3-methyl-indol-1-yl)-2-hydr...) Show SMILES Cc1cn(CCCCC[C@@H](O)C[C@](O)(CC(O)=O)C(O)=O)c2ccc(Cl)cc12 Show InChI InChI=1S/C20H26ClNO6/c1-13-12-22(17-7-6-14(21)9-16(13)17)8-4-2-3-5-15(23)10-20(28,19(26)27)11-18(24)25/h6-7,9,12,15,23,28H,2-5,8,10-11H2,1H3,(H,24,25)(H,26,27)/t15-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50066698 ((S)-2-[(R)-7-(5-Chloro-3-phenyl-indol-1-yl)-2-hydr...) Show SMILES O[C@H](CCCCCn1cc(-c2ccccc2)c2cc(Cl)ccc12)C[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C25H28ClNO6/c26-18-10-11-22-20(13-18)21(17-7-3-1-4-8-17)16-27(22)12-6-2-5-9-19(28)14-25(33,24(31)32)15-23(29)30/h1,3-4,7-8,10-11,13,16,19,28,33H,2,5-6,9,12,14-15H2,(H,29,30)(H,31,32)/t19-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Rattus norvegicus)	BDBM50066696 ((2S,3S)-2-Amino-3-carboxy-3-hydroxy-pentanedioic a...) Show SMILES N[C@H](C(O)=O)[C@@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C6H9NO7/c7-3(4(10)11)6(14,5(12)13)1-2(8)9/h3,14H,1,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-,6+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity was tested agianst ATP-Citrate Lyase (ACL) enzyme in rat				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50066691 ((S)-2-[(R)-7-(5-Chloro-2-methyl-indol-1-yl)-2-hydr...) Show SMILES Cc1cc2cc(Cl)ccc2n1CCCCC[C@@H](O)C[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C20H26ClNO6/c1-13-9-14-10-15(21)6-7-17(14)22(13)8-4-2-3-5-16(23)11-20(28,19(26)27)12-18(24)25/h6-7,9-10,16,23,28H,2-5,8,11-12H2,1H3,(H,24,25)(H,26,27)/t16-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50066674 ((R)-2-[(S)-9-(2,4-Dichloro-phenyl)-1-hydroxy-nonyl...) Show SMILES O[C@@H](CCCCCCCCc1ccc(Cl)cc1Cl)[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C19H26Cl2O6/c20-14-10-9-13(15(21)11-14)7-5-3-1-2-4-6-8-16(22)19(27,18(25)26)12-17(23)24/h9-11,16,22,27H,1-8,12H2,(H,23,24)(H,25,26)/t16-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50066703 ((S)-2-[(R)-8-(4-Chloro-2-methoxy-phenyl)-2-hydroxy...) Show SMILES COc1cc(Cl)ccc1CCCCCC[C@@H](O)C[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C19H27ClO7/c1-27-16-10-14(20)9-8-13(16)6-4-2-3-5-7-15(21)11-19(26,18(24)25)12-17(22)23/h8-10,15,21,26H,2-7,11-12H2,1H3,(H,22,23)(H,24,25)/t15-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50066681 ((S)-2-Hydroxy-2-[(R)-2-hydroxy-8-(5,2',4'-trichlor...) Show SMILES O[C@H](CCCCCCc1ccc(Cl)cc1-c1ccc(Cl)cc1Cl)C[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C24H27Cl3O6/c25-16-8-7-15(20(11-16)19-10-9-17(26)12-21(19)27)5-3-1-2-4-6-18(28)13-24(33,23(31)32)14-22(29)30/h7-12,18,28,33H,1-6,13-14H2,(H,29,30)(H,31,32)/t18-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50066690 ((S)-2-[(R)-7-(6-Chloro-indol-1-yl)-2-hydroxy-hepty...) Show SMILES O[C@H](CCCCCn1ccc2ccc(Cl)cc12)C[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C19H24ClNO6/c20-14-6-5-13-7-9-21(16(13)10-14)8-3-1-2-4-15(22)11-19(27,18(25)26)12-17(23)24/h5-7,9-10,15,22,27H,1-4,8,11-12H2,(H,23,24)(H,25,26)/t15-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Rattus norvegicus)	BDBM50036219 ((2S,3R)-3-Carboxy-3-hydroxy-2-mercapto-pentanedioi...) Show SMILES OC(=O)C[C@](O)([C@H](S)C(O)=O)C(O)=O Show InChI InChI=1S/C6H8O7S/c7-2(8)1-6(13,5(11)12)3(14)4(9)10/h3,13-14H,1H2,(H,7,8)(H,9,10)(H,11,12)/t3-,6+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity was tested agianst ATP-Citrate Lyase (ACL) enzyme in rat				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50066679 ((S)-2-[(R)-7-(5-Chloro-3-nitro-indol-1-yl)-2-hydro...) Show SMILES O[C@H](CCCCCn1cc([N+]([O-])=O)c2cc(Cl)ccc12)C[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C19H23ClN2O8/c20-12-5-6-15-14(8-12)16(22(29)30)11-21(15)7-3-1-2-4-13(23)9-19(28,18(26)27)10-17(24)25/h5-6,8,11,13,23,28H,1-4,7,9-10H2,(H,24,25)(H,26,27)/t13-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	6.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50066704 ((S)-2-[(R)-6-(5-Chloro-indol-1-yl)-2-hydroxy-hexyl...) Show SMILES O[C@H](CCCCn1ccc2cc(Cl)ccc12)C[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C18H22ClNO6/c19-13-4-5-15-12(9-13)6-8-20(15)7-2-1-3-14(21)10-18(26,17(24)25)11-16(22)23/h4-6,8-9,14,21,26H,1-3,7,10-11H2,(H,22,23)(H,24,25)/t14-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme				J Med Chem 41: 3582-95 (1998) Article DOI: 10.1021/jm980091z BindingDB Entry DOI: 10.7270/Q2B8577D
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human herpesvirus 6A (strain Uganda-1102) (HHV-6 v...)	BDBM50075146 ((E)-3-(2,5-Dimethyl-thiophen-3-yl)-N-[(S)-1-(5-met...) Show SMILES C[C@H](NC(=O)\C=C\c1cc(C)sc1C)c1nc2scc(C)c2c(=O)o1 Show InChI InChI=1S/C18H18N2O3S2/c1-9-8-24-17-15(9)18(22)23-16(20-17)11(3)19-14(21)6-5-13-7-10(2)25-12(13)4/h5-8,11H,1-4H3,(H,19,21)/b6-5+/t11-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against Varicella Zoster Virus (VZV) protease was determined using quenched fluorescence assay				Bioorg Med Chem Lett 9: 443-8 (1999) BindingDB Entry DOI: 10.7270/Q2ZC822V
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human herpesvirus 6A (strain Uganda-1102) (HHV-6 v...)	BDBM50075158 ((E)-3-(5-Bromo-thiophen-2-yl)-N-[(S)-1-(5-methyl-4...) Show SMILES C[C@H](NC(=O)\C=C\c1ccc(Br)s1)c1nc2scc(C)c2c(=O)o1 Show InChI InChI=1S/C16H13BrN2O3S2/c1-8-7-23-15-13(8)16(21)22-14(19-15)9(2)18-12(20)6-4-10-3-5-11(17)24-10/h3-7,9H,1-2H3,(H,18,20)/b6-4+/t9-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against Varicella Zoster Virus (VZV) protease was determined using quenched fluorescence assay				Bioorg Med Chem Lett 9: 443-8 (1999) BindingDB Entry DOI: 10.7270/Q2ZC822V
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human herpesvirus 6A (strain Uganda-1102) (HHV-6 v...)	BDBM50075166 ((E)-3-(2,6-Dichloro-phenyl)-N-[(S)-1-(5-methyl-4-o...) Show SMILES C[C@H](NC(=O)\C=C\c1c(Cl)cccc1Cl)c1nc2scc(C)c2c(=O)o1 Show InChI InChI=1S/C18H14Cl2N2O3S/c1-9-8-26-17-15(9)18(24)25-16(22-17)10(2)21-14(23)7-6-11-12(19)4-3-5-13(11)20/h3-8,10H,1-2H3,(H,21,23)/b7-6+/t10-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against Varicella Zoster Virus (VZV) protease was determined using quenched fluorescence assay				Bioorg Med Chem Lett 9: 443-8 (1999) BindingDB Entry DOI: 10.7270/Q2ZC822V
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human herpesvirus 6A (strain Uganda-1102) (HHV-6 v...)	BDBM50075154 ((E)-3-(2-Ethoxy-phenyl)-N-[(S)-1-(5-methyl-4-oxo-4...) Show SMILES CCOc1ccccc1\C=C\C(=O)N[C@@H](C)c1nc2scc(C)c2c(=O)o1 Show InChI InChI=1S/C20H20N2O4S/c1-4-25-15-8-6-5-7-14(15)9-10-16(23)21-13(3)18-22-19-17(20(24)26-18)12(2)11-27-19/h5-11,13H,4H2,1-3H3,(H,21,23)/b10-9+/t13-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against Varicella Zoster Virus (VZV) protease was determined using quenched fluorescence assay				Bioorg Med Chem Lett 9: 443-8 (1999) BindingDB Entry DOI: 10.7270/Q2ZC822V
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human herpesvirus 6A (strain Uganda-1102) (HHV-6 v...)	BDBM50075152 ((E)-3-(2-Chloro-4-hydroxy-phenyl)-N-[(S)-1-(5-meth...) Show SMILES C[C@H](NC(=O)\C=C\c1ccc(O)cc1Cl)c1nc2scc(C)c2c(=O)o1 Show InChI InChI=1S/C18H15ClN2O4S/c1-9-8-26-17-15(9)18(24)25-16(21-17)10(2)20-14(23)6-4-11-3-5-12(22)7-13(11)19/h3-8,10,22H,1-2H3,(H,20,23)/b6-4+/t10-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against Varicella Zoster Virus (VZV) protease was determined using quenched fluorescence assay				Bioorg Med Chem Lett 9: 443-8 (1999) BindingDB Entry DOI: 10.7270/Q2ZC822V
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human herpesvirus 6A (strain Uganda-1102) (HHV-6 v...)	BDBM50075163 ((E)-N-[(S)-1-(5-Methyl-4-oxo-4H-thieno[2,3-d][1,3]...) Show SMILES C[C@H](NC(=O)\C=C(\c1cccs1)c1ccccc1)c1nc2scc(C)c2c(=O)o1 Show InChI InChI=1S/C22H18N2O3S2/c1-13-12-29-21-19(13)22(26)27-20(24-21)14(2)23-18(25)11-16(17-9-6-10-28-17)15-7-4-3-5-8-15/h3-12,14H,1-2H3,(H,23,25)/b16-11+/t14-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against Varicella Zoster Virus (VZV) protease was determined using quenched fluorescence assay				Bioorg Med Chem Lett 9: 443-8 (1999) BindingDB Entry DOI: 10.7270/Q2ZC822V
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human herpesvirus 6A (strain Uganda-1102) (HHV-6 v...)	BDBM50075138 ((E)-3-(5-Chloro-thiophen-2-yl)-N-[(S)-1-(5-methyl-...) Show SMILES C[C@H](NC(=O)\C=C\c1ccc(Cl)s1)c1nc2scc(C)c2c(=O)o1 Show InChI InChI=1S/C16H13ClN2O3S2/c1-8-7-23-15-13(8)16(21)22-14(19-15)9(2)18-12(20)6-4-10-3-5-11(17)24-10/h3-7,9H,1-2H3,(H,18,20)/b6-4+/t9-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against Varicella Zoster Virus (VZV) protease was determined using quenched fluorescence assay				Bioorg Med Chem Lett 9: 443-8 (1999) BindingDB Entry DOI: 10.7270/Q2ZC822V
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human herpesvirus 6A (strain Uganda-1102) (HHV-6 v...)	BDBM50075159 ((E)-N-[(S)-1-(5-Methyl-4-oxo-4H-thieno[2,3-d][1,3]...) Show SMILES C[C@H](NC(=O)\C=C\c1ccnc2ccccc12)c1nc2scc(C)c2c(=O)o1 Show InChI InChI=1S/C21H17N3O3S/c1-12-11-28-20-18(12)21(26)27-19(24-20)13(2)23-17(25)8-7-14-9-10-22-16-6-4-3-5-15(14)16/h3-11,13H,1-2H3,(H,23,25)/b8-7+/t13-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against Varicella Zoster Virus (VZV) protease was determined using quenched fluorescence assay				Bioorg Med Chem Lett 9: 443-8 (1999) BindingDB Entry DOI: 10.7270/Q2ZC822V
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human herpesvirus 6A (strain Uganda-1102) (HHV-6 v...)	BDBM50075165 ((E)-3-(3,5-Dimethoxy-phenyl)-N-[(S)-1-(5-methyl-4-...) Show SMILES COc1cc(OC)cc(\C=C\C(=O)N[C@@H](C)c2nc3scc(C)c3c(=O)o2)c1 Show InChI InChI=1S/C20H20N2O5S/c1-11-10-28-19-17(11)20(24)27-18(22-19)12(2)21-16(23)6-5-13-7-14(25-3)9-15(8-13)26-4/h5-10,12H,1-4H3,(H,21,23)/b6-5+/t12-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against Varicella Zoster Virus (VZV) protease was determined using quenched fluorescence assay				Bioorg Med Chem Lett 9: 443-8 (1999) BindingDB Entry DOI: 10.7270/Q2ZC822V
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human herpesvirus 6A (strain Uganda-1102) (HHV-6 v...)	BDBM50075148 ((E)-N-[(S)-1-(5-Methyl-4-oxo-4H-thieno[2,3-d][1,3]...) Show SMILES C[C@H](NC(=O)\C=C\c1cccn1C)c1nc2scc(C)c2c(=O)o1 Show InChI InChI=1S/C17H17N3O3S/c1-10-9-24-16-14(10)17(22)23-15(19-16)11(2)18-13(21)7-6-12-5-4-8-20(12)3/h4-9,11H,1-3H3,(H,18,21)/b7-6+/t11-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against Varicella Zoster Virus (VZV) protease was determined using quenched fluorescence assay				Bioorg Med Chem Lett 9: 443-8 (1999) BindingDB Entry DOI: 10.7270/Q2ZC822V
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human herpesvirus 6A (strain Uganda-1102) (HHV-6 v...)	BDBM50075167 ((E)-3-(4-Bromo-thiophen-2-yl)-N-[(S)-1-(5-methyl-4...) Show SMILES C[C@H](NC(=O)\C=C\c1cc(Br)cs1)c1nc2scc(C)c2c(=O)o1 Show InChI InChI=1S/C16H13BrN2O3S2/c1-8-6-24-15-13(8)16(21)22-14(19-15)9(2)18-12(20)4-3-11-5-10(17)7-23-11/h3-7,9H,1-2H3,(H,18,20)/b4-3+/t9-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against Varicella Zoster Virus (VZV) protease was determined using quenched fluorescence assay				Bioorg Med Chem Lett 9: 443-8 (1999) BindingDB Entry DOI: 10.7270/Q2ZC822V
					More data for this Ligand-Target Pair

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