Compile Data Set for Download or QSAR

Found 549 hits with Last Name = 'slingsby' and Initial = 'bp'   

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))	BDBM8336 (N-[5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridazin-3-...) Show SMILES O=C(Nc1n[nH]c2nnc(cc12)-c1cccnc1)C1CC1 Show InChI InChI=1S/C14H12N6O/c21-14(8-3-4-8)16-12-10-6-11(9-2-1-5-15-7-9)17-19-13(10)20-18-12/h1-2,5-8H,3-4H2,(H2,16,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0800	-57.1	n/a	n/a	n/a	n/a	n/a	7.0	22
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 10 uM ATP/ [gamma-33P] ATP. Aft...				Bioorg Med Chem Lett 13: 1581-4 (2003) Article DOI: 10.1016/s0960-894x(03)00135-5 BindingDB Entry DOI: 10.7270/Q2BK19JV
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8337 (N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyrida...) Show SMILES Fc1cccc(c1F)-c1cc2c(NC(=O)C3CCCC3)n[nH]c2nn1 Show InChI InChI=1S/C17H15F2N5O/c18-12-7-3-6-10(14(12)19)13-8-11-15(22-24-16(11)23-21-13)20-17(25)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H2,20,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.110	-56.3	n/a	n/a	n/a	n/a	n/a	7.0	22
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 10 uM ATP/ [gamma-33P] ATP. Aft...				Bioorg Med Chem Lett 13: 1581-4 (2003) Article DOI: 10.1016/s0960-894x(03)00135-5 BindingDB Entry DOI: 10.7270/Q2BK19JV
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8339 (N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyrida...) Show SMILES CCN1CCC(CC(=O)Nc2n[nH]c3nnc(cc23)-c2cccc(F)c2F)CC1 Show InChI InChI=1S/C20H22F2N6O/c1-2-28-8-6-12(7-9-28)10-17(29)23-19-14-11-16(24-26-20(14)27-25-19)13-4-3-5-15(21)18(13)22/h3-5,11-12H,2,6-10H2,1H3,(H2,23,25,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.190	-54.9	n/a	n/a	n/a	n/a	n/a	7.0	22
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 10 uM ATP/ [gamma-33P] ATP. Aft...				Bioorg Med Chem Lett 13: 1581-4 (2003) Article DOI: 10.1016/s0960-894x(03)00135-5 BindingDB Entry DOI: 10.7270/Q2BK19JV
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8338 (N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyrida...) Show SMILES CCN1CCC(CC1)C(=O)Nc1n[nH]c2nnc(cc12)-c1cccc(F)c1F Show InChI InChI=1S/C19H20F2N6O/c1-2-27-8-6-11(7-9-27)19(28)22-17-13-10-15(23-25-18(13)26-24-17)12-4-3-5-14(20)16(12)21/h3-5,10-11H,2,6-9H2,1H3,(H2,22,24,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.950	-51.0	n/a	n/a	n/a	n/a	n/a	7.0	22
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 10 uM ATP/ [gamma-33P] ATP. Aft...				Bioorg Med Chem Lett 13: 1581-4 (2003) Article DOI: 10.1016/s0960-894x(03)00135-5 BindingDB Entry DOI: 10.7270/Q2BK19JV
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8336 (N-[5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridazin-3-...) Show SMILES O=C(Nc1n[nH]c2nnc(cc12)-c1cccnc1)C1CC1 Show InChI InChI=1S/C14H12N6O/c21-14(8-3-4-8)16-12-10-6-11(9-2-1-5-15-7-9)17-19-13(10)20-18-12/h1-2,5-8H,3-4H2,(H2,16,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5	-46.7	n/a	n/a	n/a	n/a	n/a	7.5	21
GlaxoSmithKline					Assay Description In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP...				Bioorg Med Chem Lett 13: 1581-4 (2003) Article DOI: 10.1016/s0960-894x(03)00135-5 BindingDB Entry DOI: 10.7270/Q2BK19JV
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8337 (N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyrida...) Show SMILES Fc1cccc(c1F)-c1cc2c(NC(=O)C3CCCC3)n[nH]c2nn1 Show InChI InChI=1S/C17H15F2N5O/c18-12-7-3-6-10(14(12)19)13-8-11-15(22-24-16(11)23-21-13)20-17(25)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H2,20,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5	-46.7	n/a	n/a	n/a	n/a	n/a	7.5	21
GlaxoSmithKline					Assay Description In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP...				Bioorg Med Chem Lett 13: 1581-4 (2003) Article DOI: 10.1016/s0960-894x(03)00135-5 BindingDB Entry DOI: 10.7270/Q2BK19JV
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50085629 (2-[8-(4-Chloro-phenyl)-8-oxo-octylsulfanyl]-5-(1-m...) Show SMILES Cn1ccc(Cc2cnc(SCCCCCCCC(=O)c3ccc(Cl)cc3)[nH]c2=O)cc1=O Show InChI InChI=1S/C25H28ClN3O3S/c1-29-13-12-18(16-23(29)31)15-20-17-27-25(28-24(20)32)33-14-6-4-2-3-5-7-22(30)19-8-10-21(26)11-9-19/h8-13,16-17H,2-7,14-15H2,1H3,(H,27,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description The compound was tested for inhibition of Lipoprotein-associated phospholipase A2 (Lp-PLA2)				Bioorg Med Chem Lett 10: 395-8 (2000) BindingDB Entry DOI: 10.7270/Q25X285S
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8338 (N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyrida...) Show SMILES CCN1CCC(CC1)C(=O)Nc1n[nH]c2nnc(cc12)-c1cccc(F)c1F Show InChI InChI=1S/C19H20F2N6O/c1-2-27-8-6-11(7-9-27)19(28)22-17-13-10-15(23-25-18(13)26-24-17)12-4-3-5-14(20)16(12)21/h3-5,10-11H,2,6-9H2,1H3,(H2,22,24,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	450	-35.7	n/a	n/a	n/a	n/a	n/a	7.5	21
GlaxoSmithKline					Assay Description In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP...				Bioorg Med Chem Lett 13: 1581-4 (2003) Article DOI: 10.1016/s0960-894x(03)00135-5 BindingDB Entry DOI: 10.7270/Q2BK19JV
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8339 (N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyrida...) Show SMILES CCN1CCC(CC(=O)Nc2n[nH]c3nnc(cc23)-c2cccc(F)c2F)CC1 Show InChI InChI=1S/C20H22F2N6O/c1-2-28-8-6-12(7-9-28)10-17(29)23-19-14-11-16(24-26-20(14)27-25-19)13-4-3-5-15(21)18(13)22/h3-5,11-12H,2,6-10H2,1H3,(H2,23,25,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	540	-35.3	n/a	n/a	n/a	n/a	n/a	7.5	21
GlaxoSmithKline					Assay Description In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP...				Bioorg Med Chem Lett 13: 1581-4 (2003) Article DOI: 10.1016/s0960-894x(03)00135-5 BindingDB Entry DOI: 10.7270/Q2BK19JV
					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
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8327 (4-(dimethylamino)-N-{5-phenyl-1H-pyrazolo[3,4-c]py...) Show SMILES CN(C)CCCC(=O)Nc1n[nH]c2nnc(cc12)-c1ccccc1 Show InChI InChI=1S/C17H20N6O/c1-23(2)10-6-9-15(24)18-16-13-11-14(12-7-4-3-5-8-12)19-21-17(13)22-20-16/h3-5,7-8,11H,6,9-10H2,1-2H3,(H2,18,20,21,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	-32.5	n/a	n/a	n/a	n/a	n/a	7.5	21
GlaxoSmithKline					Assay Description In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP...				Bioorg Med Chem Lett 13: 1581-4 (2003) Article DOI: 10.1016/s0960-894x(03)00135-5 BindingDB Entry DOI: 10.7270/Q2BK19JV
					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 (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 (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 (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 (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 (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
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 (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
ATP-citrate synthase (Rattus norvegicus)	BDBM50053015 (2-(6-Biphenyl-2-yl-hexylsulfanylmethyl)-2-hydroxy-...) Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccccc1-c1ccccc1)C(O)=O Show InChI InChI=1S/C23H28O5S/c24-21(25)16-23(28,22(26)27)17-29-15-9-2-1-4-10-19-13-7-8-14-20(19)18-11-5-3-6-12-18/h3,5-8,11-14,28H,1-2,4,9-10,15-17H2,(H,24,25)(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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 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)	BDBM50053005 (2-(5-Biphenyl-2-yl-pentylsulfanylmethyl)-2-hydroxy...) Show SMILES OC(=O)CC(O)(CSCCCCCc1ccccc1-c1ccccc1)C(O)=O Show InChI InChI=1S/C22H26O5S/c23-20(24)15-22(27,21(25)26)16-28-14-8-2-5-11-18-12-6-7-13-19(18)17-9-3-1-4-10-17/h1,3-4,6-7,9-10,12-13,27H,2,5,8,11,14-16H2,(H,23,24)(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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 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)	BDBM50053011 (4-[6-(2,4-Dichloro-phenyl)-hexylsulfanyl]-butyric ...) Show SMILES OC(=O)CCCSCCCCCCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C16H22Cl2O2S/c17-14-9-8-13(15(18)12-14)6-3-1-2-4-10-21-11-5-7-16(19)20/h8-9,12H,1-7,10-11H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+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)	BDBM50053007 (2-[7-(2,4-Dichloro-phenyl)-2-oxo-heptyl]-2-hydroxy...) Show SMILES OC(=O)CC(O)(CC(=O)CCCCCc1ccc(Cl)cc1Cl)C(O)=O Show InChI InChI=1S/C17H20Cl2O6/c18-12-7-6-11(14(19)8-12)4-2-1-3-5-13(20)9-17(25,16(23)24)10-15(21)22/h6-8,25H,1-5,9-10H2,(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	2.50E+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))	BDBM50052987 (2-[6-(4-Chloro-2-nitro-phenyl)-hexylsulfanylmethyl...) Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccc(Cl)cc1[N+]([O-])=O)C(O)=O Show InChI InChI=1S/C17H22ClNO7S/c18-13-7-6-12(14(9-13)19(25)26)5-3-1-2-4-8-27-11-17(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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.60E+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 was measured 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)	BDBM50053008 (2-[6-(4-Bromo-phenyl)-hexylsulfanylmethyl]-2-hydro...) Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccc(Br)cc1)C(O)=O Show InChI InChI=1S/C17H23BrO5S/c18-14-8-6-13(7-9-14)5-3-1-2-4-10-24-12-17(23,16(21)22)11-15(19)20/h6-9,23H,1-5,10-12H2,(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	3.10E+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 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)	BDBM50052996 (2-[(Z)-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	3.30E+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 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)	BDBM50053014 (2-(6-Biphenyl-4-yl-hexylsulfanylmethyl)-2-hydroxy-...) Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccc(cc1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C23H28O5S/c24-21(25)16-23(28,22(26)27)17-29-15-7-2-1-4-8-18-11-13-20(14-12-18)19-9-5-3-6-10-19/h3,5-6,9-14,28H,1-2,4,7-8,15-17H2,(H,24,25)(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.80E+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 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)	BDBM50052993 (2-Hydroxy-2-(6-naphthalen-1-yl-hexylsulfanylmethyl...) Show SMILES OC(=O)CC(O)(CSCCCCCCc1cccc2ccccc12)C(O)=O Show InChI InChI=1S/C21H26O5S/c22-19(23)14-21(26,20(24)25)15-27-13-6-2-1-3-8-16-10-7-11-17-9-4-5-12-18(16)17/h4-5,7,9-12,26H,1-3,6,8,13-15H2,(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	6.30E+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 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)	BDBM50053006 (2-[5-(2,4-Dichloro-benzenesulfonyl)-pentylsulfanyl...) Show SMILES OC(=O)CC(O)(CSCCCCCS(=O)(=O)c1ccc(Cl)cc1Cl)C(O)=O Show InChI InChI=1S/C16H20Cl2O7S2/c17-11-4-5-13(12(18)8-11)27(24,25)7-3-1-2-6-26-10-16(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	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 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)	BDBM50053012 (2-[5-(2,4-Dichloro-phenoxy)-pentylsulfanylmethyl]-...) Show SMILES OC(=O)CC(O)(CSCCCCCOc1ccc(Cl)cc1Cl)C(O)=O Show InChI InChI=1S/C16H20Cl2O6S/c17-11-4-5-13(12(18)8-11)24-6-2-1-3-7-25-10-16(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	Article PubMed	6.70E+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)	BDBM50053003 (2-[6-(2-Chloro-phenyl)-hexylsulfanylmethyl]-2-hydr...) Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccccc1Cl)C(O)=O Show InChI InChI=1S/C17H23ClO5S/c18-14-9-5-4-8-13(14)7-3-1-2-6-10-24-12-17(23,16(21)22)11-15(19)20/h4-5,8-9,23H,1-3,6-7,10-12H2,(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	6.90E+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 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)	BDBM50053028 (2-[6-(4-Chloro-phenyl)-hexylsulfanylmethyl]-2-hydr...) Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccc(Cl)cc1)C(O)=O Show InChI InChI=1S/C17H23ClO5S/c18-14-8-6-13(7-9-14)5-3-1-2-4-10-24-12-17(23,16(21)22)11-15(19)20/h6-9,23H,1-5,10-12H2,(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	7.10E+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 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)	BDBM50052983 (2-Hydroxy-2-[6-(2-nitro-phenyl)-hexylsulfanylmethy...) Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccccc1[N+]([O-])=O)C(O)=O Show InChI InChI=1S/C17H23NO7S/c19-15(20)11-17(23,16(21)22)12-26-10-6-2-1-3-7-13-8-4-5-9-14(13)18(24)25/h4-5,8-9,23H,1-3,6-7,10-12H2,(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	7.50E+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
ATP-citrate synthase (Rattus norvegicus)	BDBM50053002 (2-[6-(2,6-Dichloro-phenyl)-hexylsulfanylmethyl]-2-...) Show SMILES OC(=O)CC(O)(CSCCCCCCc1c(Cl)cccc1Cl)C(O)=O Show InChI InChI=1S/C17H22Cl2O5S/c18-13-7-5-8-14(19)12(13)6-3-1-2-4-9-25-11-17(24,16(22)23)10-15(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	7.60E+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)	BDBM50053024 (4-[6-(2,4-Dichloro-phenyl)-hexylsulfanyl]-3-hydrox...) Show SMILES OC(CSCCCCCCc1ccc(Cl)cc1Cl)CC(O)=O Show InChI InChI=1S/C16H22Cl2O3S/c17-13-7-6-12(15(18)9-13)5-3-1-2-4-8-22-11-14(19)10-16(20)21/h6-7,9,14,19H,1-5,8,10-11H2,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	8.80E+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 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)	BDBM50052999 (2-Hydroxy-2-(6-naphthalen-2-yl-hexylsulfanylmethyl...) Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccc2ccccc2c1)C(O)=O Show InChI InChI=1S/C21H26O5S/c22-19(23)14-21(26,20(24)25)15-27-12-6-2-1-3-7-16-10-11-17-8-4-5-9-18(17)13-16/h4-5,8-11,13,26H,1-3,6-7,12,14-15H2,(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	9.30E+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 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)	BDBM50053022 (2-[6-(2-Benzyl-phenyl)-hexylsulfanylmethyl]-2-hydr...) Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccccc1Cc1ccccc1)C(O)=O Show InChI InChI=1S/C24H30O5S/c25-22(26)17-24(29,23(27)28)18-30-15-9-2-1-6-12-20-13-7-8-14-21(20)16-19-10-4-3-5-11-19/h3-5,7-8,10-11,13-14,29H,1-2,6,9,12,15-18H2,(H,25,26)(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	9.40E+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 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)	BDBM50052988 (2-[6-(3,4-Dichloro-phenyl)-hexylsulfanylmethyl]-2-...) Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccc(Cl)c(Cl)c1)C(O)=O Show InChI InChI=1S/C17H22Cl2O5S/c18-13-7-6-12(9-14(13)19)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	1.10E+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 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)	BDBM50052994 (2-[6-(4-Fluoro-phenyl)-hexylsulfanylmethyl]-2-hydr...) Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccc(F)cc1)C(O)=O Show InChI InChI=1S/C17H23FO5S/c18-14-8-6-13(7-9-14)5-3-1-2-4-10-24-12-17(23,16(21)22)11-15(19)20/h6-9,23H,1-5,10-12H2,(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	1.20E+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 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))	BDBM50053013 (2-[6-(3,5-Dichloro-pyridin-4-yl)-hexylsulfanylmeth...) Show SMILES OC(=O)CC(O)(CSCCCCCCc1c(Cl)cncc1Cl)C(O)=O Show InChI InChI=1S/C16H21Cl2NO5S/c17-12-8-19-9-13(18)11(12)5-3-1-2-4-6-25-10-16(24,15(22)23)7-14(20)21/h8-9,24H,1-7,10H2,(H,20,21)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	1.21E+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 activity was measured by the maleate dehydrogenase catalyzed reduction of oxaloacetat...				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)	BDBM50053030 (2-[6-(2,4-Dichloro-phenyl)-6-oxo-hexylsulfanylmeth...) Show SMILES OC(=O)CC(O)(CSCCCCCC(=O)c1ccc(Cl)cc1Cl)C(O)=O Show InChI InChI=1S/C17H20Cl2O6S/c18-11-5-6-12(13(19)8-11)14(20)4-2-1-3-7-26-10-17(25,16(23)24)9-15(21)22/h5-6,8,25H,1-4,7,9-10H2,(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	1.30E+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 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)	BDBM50052997 (2-[5-(2,4-Dichloro-benzenesulfinyl)-pentylsulfanyl...) Show SMILES OC(=O)CC(O)(CSCCCCCS(=O)c1ccc(Cl)cc1Cl)C(O)=O Show InChI InChI=1S/C16H20Cl2O6S2/c17-11-4-5-13(12(18)8-11)26(24)7-3-1-2-6-25-10-16(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	1.31E+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 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)	BDBM50052978 (2-[6-(3-Chloro-phenyl)-hexylsulfanylmethyl]-2-hydr...) Show SMILES OC(=O)CC(O)(CSCCCCCCc1cccc(Cl)c1)C(O)=O Show InChI InChI=1S/C17H23ClO5S/c18-14-8-5-7-13(10-14)6-3-1-2-4-9-24-12-17(23,16(21)22)11-15(19)20/h5,7-8,10,23H,1-4,6,9,11-12H2,(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	1.50E+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 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)	BDBM50053017 (2-[6-(2,4-Dimethyl-phenyl)-hexylsulfanylmethyl]-2-...) Show SMILES Cc1ccc(CCCCCCSCC(O)(CC(O)=O)C(O)=O)c(C)c1 Show InChI InChI=1S/C19H28O5S/c1-14-8-9-16(15(2)11-14)7-5-3-4-6-10-25-13-19(24,18(22)23)12-17(20)21/h8-9,11,24H,3-7,10,12-13H2,1-2H3,(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	1.60E+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 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)	BDBM50053026 (2-[4-(2,4-Dichloro-benzenesulfonylamino)-butylsulf...) Show SMILES OC(=O)CC(O)(CSCCCCNS(=O)(=O)c1ccc(Cl)cc1Cl)C(O)=O Show InChI InChI=1S/C15H19Cl2NO7S2/c16-10-3-4-12(11(17)7-10)27(24,25)18-5-1-2-6-26-9-15(23,14(21)22)8-13(19)20/h3-4,7,18,23H,1-2,5-6,8-9H2,(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	1.75E+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 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)	BDBM50053023 (2-{4-[(2,4-Dichloro-benzenesulfonyl)-methyl-amino]...) Show SMILES CN(CCCCSCC(O)(CC(O)=O)C(O)=O)S(=O)(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C16H21Cl2NO7S2/c1-19(28(25,26)13-5-4-11(17)8-12(13)18)6-2-3-7-27-10-16(24,15(22)23)9-14(20)21/h4-5,8,24H,2-3,6-7,9-10H2,1H3,(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	1.78E+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 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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