Compile Data Set for Download or QSAR

Found 114 hits with Last Name = 'pearce' and Initial = 'n'   

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
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8296 (3-(2,4-dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2ccc(Cl)cc2Cl)c2ccccc12 |t:4| Show InChI InChI=1S/C19H12Cl2N2O2/c1-23-9-13(11-4-2-3-5-15(11)23)17-16(18(24)22-19(17)25)12-7-6-10(20)8-14(12)21/h2-9H,1H3,(H,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	9.10	-45.4	34.3	n/a	n/a	n/a	n/a	7.0	22
SmithKline Beecham Pharmaceuticals					Assay Description In vitro kinase inhibition assay using purified GSK-3 alpha from insect cells, was incubated at room temperature with substrate, and test compounds i...				Chem Biol 7: 793-803 (2000) Article DOI: 10.1016/s1074-5521(00)00025-9 BindingDB Entry DOI: 10.7270/Q2M32T0X
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8297 (3-[(3-chloro-4-hydroxyphenyl)amino]-4-(2-nitrophen...) Show SMILES Oc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2N(=O)=O)cc1Cl |t:6| Show InChI InChI=1S/C16H10ClN3O5/c17-10-7-8(5-6-12(10)21)18-14-13(15(22)19-16(14)23)9-3-1-2-4-11(9)20(24)25/h1-7,21H,(H2,18,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	30.8	-42.4	77.5	n/a	n/a	n/a	n/a	7.0	22
SmithKline Beecham Pharmaceuticals					Assay Description In vitro kinase inhibition assay using purified GSK-3 alpha from insect cells, was incubated at room temperature with substrate, and test compounds i...				Chem Biol 7: 793-803 (2000) Article DOI: 10.1016/s1074-5521(00)00025-9 BindingDB Entry DOI: 10.7270/Q2M32T0X
					More data for this Ligand-Target Pair
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)	BDBM50053000 (2-[8-(2,4-Dichloro-phenyl)-2-oxo-octyl]-2-hydroxy-...) Show SMILES OC(=O)CC(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)	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 against rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.				J Med Chem 39: 3569-84 (1996) Article DOI: 10.1021/jm960167w BindingDB Entry DOI: 10.7270/Q21N807N
					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 (Rattus norvegicus)	BDBM50053001 (2-[6-(2,4-Dichloro-phenyl)-hexylsulfanylmethyl]-su...) Show SMILES OC(=O)CC(CSCCCCCCc1ccc(Cl)cc1Cl)C(O)=O Show InChI InChI=1S/C17H22Cl2O4S/c18-14-7-6-12(15(19)10-14)5-3-1-2-4-8-24-11-13(17(22)23)9-16(20)21/h6-7,10,13H,1-5,8-9,11H2,(H,20,21)(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60E+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 rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.				J Med Chem 39: 3569-84 (1996) Article DOI: 10.1021/jm960167w BindingDB Entry DOI: 10.7270/Q21N807N
					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))	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 (Rattus norvegicus)	BDBM50052989 (2-[8-(2,4-Dichloro-phenyl)-octyl]-2-hydroxy-succin...) Show SMILES OC(=O)CC(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)	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 against rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.				J Med Chem 39: 3569-84 (1996) Article DOI: 10.1021/jm960167w BindingDB Entry DOI: 10.7270/Q21N807N
					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 (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))	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)	BDBM50052995 (2-{2-[5-(2,4-Dichloro-phenyl)-pentylsulfanyl]-ethy...) Show SMILES OC(=O)CC(O)(CCSCCCCCc1ccc(Cl)cc1Cl)C(O)=O Show InChI InChI=1S/C17H22Cl2O5S/c18-13-6-5-12(14(19)10-13)4-2-1-3-8-25-9-7-17(24,16(22)23)11-15(20)21/h5-6,10,24H,1-4,7-9,11H2,(H,20,21)(H,22,23)	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 against rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.				J Med Chem 39: 3569-84 (1996) Article DOI: 10.1021/jm960167w BindingDB Entry DOI: 10.7270/Q21N807N
					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 (Rattus norvegicus)	BDBM50053020 (2-[6-(2,4-Dichloro-phenyl)-hexylsulfanylmethyl]-2-...) Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccc(Cl)cc1Cl)C(O)=O Show InChI InChI=1S/C17H22Cl2O5S/c18-13-7-6-12(14(19)9-13)5-3-1-2-4-8-25-11-17(24,16(22)23)10-15(20)21/h6-7,9,24H,1-5,8,10-11H2,(H,20,21)(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.30E+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 Inhibition of recombinant ATP-Citrate Lyase activity as maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH				J Med Chem 39: 3569-84 (1996) Article DOI: 10.1021/jm960167w BindingDB Entry DOI: 10.7270/Q21N807N
					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 (Rattus norvegicus)	BDBM50052985 (2-[5-(2,4-Dichloro-phenyl)-pentylsulfanylmethyl]-2...) Show SMILES OC(=O)CC(O)(CSCCCCCc1ccc(Cl)cc1Cl)C(O)=O Show InChI InChI=1S/C16H20Cl2O5S/c17-12-6-5-11(13(18)8-12)4-2-1-3-7-24-10-16(23,15(21)22)9-14(19)20/h5-6,8,23H,1-4,7,9-10H2,(H,19,20)(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	6.80E+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 Inhibition of recombinant ATP-Citrate Lyase activity as maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH				J Med Chem 39: 3569-84 (1996) Article DOI: 10.1021/jm960167w BindingDB Entry DOI: 10.7270/Q21N807N
					More data for this Ligand-Target Pair
ATP-citrate synthase (Rattus norvegicus)	BDBM50053010 (2-[7-(2,4-Dichloro-phenyl)-heptylsulfanylmethyl]-2...) Show SMILES OC(=O)CC(O)(CSCCCCCCCc1ccc(Cl)cc1Cl)C(O)=O Show InChI InChI=1S/C18H24Cl2O5S/c19-14-8-7-13(15(20)10-14)6-4-2-1-3-5-9-26-12-18(25,17(23)24)11-16(21)22/h7-8,10,25H,1-6,9,11-12H2,(H,21,22)(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	7.20E+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 rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.				J Med Chem 39: 3569-84 (1996) Article DOI: 10.1021/jm960167w BindingDB Entry DOI: 10.7270/Q21N807N
					More data for this Ligand-Target Pair
ATP-citrate synthase (Rattus norvegicus)	BDBM50052980 (2-[6-(2,3-Dichloro-phenyl)-hexylsulfanylmethyl]-2-...) Show SMILES OC(=O)CC(O)(CSCCCCCCc1cccc(Cl)c1Cl)C(O)=O Show InChI InChI=1S/C17H22Cl2O5S/c18-13-8-5-7-12(15(13)19)6-3-1-2-4-9-25-11-17(24,16(22)23)10-14(20)21/h5,7-8,24H,1-4,6,9-11H2,(H,20,21)(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	7.30E+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 rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.				J Med Chem 39: 3569-84 (1996) Article DOI: 10.1021/jm960167w BindingDB Entry DOI: 10.7270/Q21N807N
					More data for this Ligand-Target Pair
ATP-citrate synthase (Rattus norvegicus)	BDBM50053016 (2-[(E)-6-(2,4-Dichloro-phenyl)-hex-5-enylsulfanylm...) Show SMILES OC(=O)CC(O)(CSCCCC\C=C\c1ccc(Cl)cc1Cl)C(O)=O Show InChI InChI=1S/C17H20Cl2O5S/c18-13-7-6-12(14(19)9-13)5-3-1-2-4-8-25-11-17(24,16(22)23)10-15(20)21/h3,5-7,9,24H,1-2,4,8,10-11H2,(H,20,21)(H,22,23)/b5-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	7.40E+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 rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.				J Med Chem 39: 3569-84 (1996) Article DOI: 10.1021/jm960167w BindingDB Entry DOI: 10.7270/Q21N807N
					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 (Rattus norvegicus)	BDBM50053029 (2-[6-(3,5-Dichloro-biphenyl-2-yl)-hexylsulfanylmet...) Show SMILES OC(=O)CC(O)(CSCCCCCCc1c(Cl)cc(Cl)cc1-c1ccccc1)C(O)=O Show InChI InChI=1S/C23H26Cl2O5S/c24-17-12-19(16-8-4-3-5-9-16)18(20(25)13-17)10-6-1-2-7-11-31-15-23(30,22(28)29)14-21(26)27/h3-5,8-9,12-13,30H,1-2,6-7,10-11,14-15H2,(H,26,27)(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.00E+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 Inhibition of recombinant ATP-Citrate Lyase activity as maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH				J Med Chem 39: 3569-84 (1996) Article DOI: 10.1021/jm960167w BindingDB Entry DOI: 10.7270/Q21N807N
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50560228 (CHEMBL4750267) Show SMILES FC(F)(F)[C@H](N[C@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)c1ccc(Br)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human cathepsin B				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127439 BindingDB Entry DOI: 10.7270/Q2ZW1QMD
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50502825 (CHEMBL4446278) Show SMILES FC(F)(F)[C@@H](N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C21H19BrF3N3O/c22-16-8-6-15(7-9-16)18(21(23,24)25)27-17(12-14-4-2-1-3-5-14)19(29)28-20(13-26)10-11-20/h1-9,17-18,27H,10-12H2,(H,28,29)/t17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human cathepsin B				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127439 BindingDB Entry DOI: 10.7270/Q2ZW1QMD
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50502847 (CHEMBL4544254) Show SMILES FC(F)(F)[C@@H](N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)c1ccccc1 |r| Show InChI InChI=1S/C21H20F3N3O/c22-21(23,24)18(16-9-5-2-6-10-16)26-17(13-15-7-3-1-4-8-15)19(28)27-20(14-25)11-12-20/h1-10,17-18,26H,11-13H2,(H,27,28)/t17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human cathepsin B				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127439 BindingDB Entry DOI: 10.7270/Q2ZW1QMD
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50560229 (CHEMBL4761811) Show SMILES Cc1ccc(cc1)[C@@H](N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human cathepsin B				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127439 BindingDB Entry DOI: 10.7270/Q2ZW1QMD
					More data for this Ligand-Target Pair
ATP-citrate synthase (Rattus norvegicus)	BDBM50053018 (2-[5-(2,4-Dichloro-phenylsulfanyl)-pentylsulfanylm...) Show SMILES OC(=O)CC(O)(CSCCCCCSc1ccc(Cl)cc1Cl)C(O)=O Show InChI InChI=1S/C16H20Cl2O5S2/c17-11-4-5-13(12(18)8-11)25-7-3-1-2-6-24-10-16(23,15(21)22)9-14(19)20/h4-5,8,23H,1-3,6-7,9-10H2,(H,19,20)(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.00E+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 rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.				J Med Chem 39: 3569-84 (1996) Article DOI: 10.1021/jm960167w BindingDB Entry DOI: 10.7270/Q21N807N
					More data for this Ligand-Target Pair
ATP-citrate synthase (Rattus norvegicus)	BDBM50053027 (2-[7-(2,4-Dichloro-phenyl)-heptyl]-2-hydroxy-succi...) Show SMILES OC(=O)CC(O)(CCCCCCCc1ccc(Cl)cc1Cl)C(O)=O Show InChI InChI=1S/C17H22Cl2O5/c18-13-8-7-12(14(19)10-13)6-4-2-1-3-5-9-17(24,16(22)23)11-15(20)21/h7-8,10,24H,1-6,9,11H2,(H,20,21)(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.05E+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 rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.				J Med Chem 39: 3569-84 (1996) Article DOI: 10.1021/jm960167w BindingDB Entry DOI: 10.7270/Q21N807N
					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 (Rattus norvegicus)	BDBM50052991 (2-[5-(2,4-Dichloro-phenylamino)-pentylsulfanylmeth...) Show SMILES OC(=O)CC(O)(CSCCCCCNc1ccc(Cl)cc1Cl)C(O)=O Show InChI InChI=1S/C16H21Cl2NO5S/c17-11-4-5-13(12(18)8-11)19-6-2-1-3-7-25-10-16(24,15(22)23)9-14(20)21/h4-5,8,19,24H,1-3,6-7,9-10H2,(H,20,21)(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	1.20E+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 rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.				J Med Chem 39: 3569-84 (1996) Article DOI: 10.1021/jm960167w BindingDB Entry DOI: 10.7270/Q21N807N
					More data for this Ligand-Target Pair

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