Compile Data Set for Download or QSAR

Found 232 hits with Last Name = 'herling' and Initial = 'aw'   

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
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50430004 (CHEMBL2334648) Show SMILES FC(F)(F)c1ccccc1C(=O)N1CC2=C(C1)CN(C2)c1ccc(OCc2ccccc2)nn1 |c:15| Show InChI InChI=1S/C25H21F3N4O2/c26-25(27,28)21-9-5-4-8-20(21)24(33)32-14-18-12-31(13-19(18)15-32)22-10-11-23(30-29-22)34-16-17-6-2-1-3-7-17/h1-11H,12-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429988 (CHEMBL2334628) Show SMILES OC(c1ccc2nc([nH]c2c1)-c1ccc(OCc2ccccc2)cc1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C28H21F3N2O2/c29-28(30,31)23-9-5-4-8-22(23)26(34)20-12-15-24-25(16-20)33-27(32-24)19-10-13-21(14-11-19)35-17-18-6-2-1-3-7-18/h1-16,26,34H,17H2,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in rat H42E cells				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50332563 (CHEMBL1630721 | trans-(S)-N-(4-(4-(6-isopropoxypyr...) Show SMILES CC(C)Oc1ccc(O[C@H]2CC[C@H](CC[C@H](C)NC(C)=O)CC2)cn1 |r,wU:15.15,9.8,wD:12.12,(-5.64,-6.46,;-4.31,-5.7,;-4.3,-4.16,;-2.97,-6.47,;-1.64,-5.7,;-.3,-6.47,;1.03,-5.7,;1.03,-4.15,;2.36,-3.37,;3.7,-4.14,;5.02,-3.36,;6.35,-4.11,;6.36,-5.66,;7.7,-6.43,;9.03,-5.65,;10.37,-6.41,;10.35,-7.95,;11.7,-5.63,;13.03,-6.4,;14.36,-5.62,;13.04,-7.94,;5.03,-6.44,;3.7,-5.67,;-.31,-3.38,;-1.64,-4.15,)| Show InChI InChI=1S/C20H32N2O3/c1-14(2)24-20-12-11-19(13-21-20)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h11-15,17-18H,5-10H2,1-4H3,(H,22,23)/t15-,17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human recombinant ACC2 expressed in high five insect cells by ATP consumption assay				J Med Chem 53: 8679-87 (2010) Article DOI: 10.1021/jm101179e BindingDB Entry DOI: 10.7270/Q28K79BT
					More data for this Ligand-Target Pair
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM50174389 (1-(2-Chloro-4-fluoro-benzoyl)-3-(5-hydroxy-2-metho...) Show SMILES COc1ccc(O)cc1NC(=O)NC(=O)c1ccc(F)cc1Cl Show InChI InChI=1S/C15H12ClFN2O4/c1-23-13-5-3-9(20)7-12(13)18-15(22)19-14(21)10-4-2-8(17)6-11(10)16/h2-7,20H,1H3,(H2,18,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	22.9	n/a	n/a	n/a	n/a	7.2	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Logarithmic inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate and incubated for 40 mi...				J Med Chem 48: 6178-93 (2005) Article DOI: 10.1021/jm049034y BindingDB Entry DOI: 10.7270/Q2FT8KJ5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM50174389 (1-(2-Chloro-4-fluoro-benzoyl)-3-(5-hydroxy-2-metho...) Show SMILES COc1ccc(O)cc1NC(=O)NC(=O)c1ccc(F)cc1Cl Show InChI InChI=1S/C15H12ClFN2O4/c1-23-13-5-3-9(20)7-12(13)18-15(22)19-14(21)10-4-2-8(17)6-11(10)16/h2-7,20H,1H3,(H2,18,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	7.2	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate upon incubating for 40 min at 25 de...				J Med Chem 48: 6178-93 (2005) Article DOI: 10.1021/jm049034y BindingDB Entry DOI: 10.7270/Q2FT8KJ5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM97610 (CHEMBL1630715 | US8470841, 35) Show SMILES CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(C)=O)cc2)cn1 |r| Show InChI InChI=1S/C20H26N2O3/c1-14(2)24-20-12-11-19(13-21-20)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human recombinant ACC2 expressed in high five insect cells by ATP consumption assay				J Med Chem 53: 8679-87 (2010) Article DOI: 10.1021/jm101179e BindingDB Entry DOI: 10.7270/Q28K79BT
					More data for this Ligand-Target Pair
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM50174381 (4-[3-(2-Chloro-4,5-difluoro-benzoyl)-ureido]-2-hyd...) Show SMILES COc1cc(C(O)=O)c(O)cc1NC(=O)NC(=O)c1cc(F)c(F)cc1Cl Show InChI InChI=1S/C16H11ClF2N2O6/c1-27-13-3-7(15(24)25)12(22)5-11(13)20-16(26)21-14(23)6-2-9(18)10(19)4-8(6)17/h2-5,22H,1H3,(H,24,25)(H2,20,21,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.2	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate upon incubating for 40 min at 25 de...				J Med Chem 48: 6178-93 (2005) Article DOI: 10.1021/jm049034y BindingDB Entry DOI: 10.7270/Q2FT8KJ5
					More data for this Ligand-Target Pair
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM50174381 (4-[3-(2-Chloro-4,5-difluoro-benzoyl)-ureido]-2-hyd...) Show SMILES COc1cc(C(O)=O)c(O)cc1NC(=O)NC(=O)c1cc(F)c(F)cc1Cl Show InChI InChI=1S/C16H11ClF2N2O6/c1-27-13-3-7(15(24)25)12(22)5-11(13)20-16(26)21-14(23)6-2-9(18)10(19)4-8(6)17/h2-5,22H,1H3,(H,24,25)(H2,20,21,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50.1	n/a	n/a	n/a	n/a	7.2	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Logarithmic inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate and incubated for 40 mi...				J Med Chem 48: 6178-93 (2005) Article DOI: 10.1021/jm049034y BindingDB Entry DOI: 10.7270/Q2FT8KJ5
					More data for this Ligand-Target Pair
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM50174379 (1-{3-[3-(2-Chloro-4,5-difluoro-benzoyl)-ureido]-4-...) Show SMILES CNC(=O)Nc1ccc(OC)c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)c1 Show InChI InChI=1S/C17H15ClF2N4O4/c1-21-16(26)22-8-3-4-14(28-2)13(5-8)23-17(27)24-15(25)9-6-11(19)12(20)7-10(9)18/h3-7H,1-2H3,(H2,21,22,26)(H2,23,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52.5	n/a	n/a	n/a	n/a	7.2	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Logarithmic inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate and incubated for 40 mi...				J Med Chem 48: 6178-93 (2005) Article DOI: 10.1021/jm049034y BindingDB Entry DOI: 10.7270/Q2FT8KJ5
					More data for this Ligand-Target Pair
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM50174379 (1-{3-[3-(2-Chloro-4,5-difluoro-benzoyl)-ureido]-4-...) Show SMILES CNC(=O)Nc1ccc(OC)c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)c1 Show InChI InChI=1S/C17H15ClF2N4O4/c1-21-16(26)22-8-3-4-14(28-2)13(5-8)23-17(27)24-15(25)9-6-11(19)12(20)7-10(9)18/h3-7H,1-2H3,(H2,21,22,26)(H2,23,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	7.2	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate upon incubating for 40 min at 25 de...				J Med Chem 48: 6178-93 (2005) Article DOI: 10.1021/jm049034y BindingDB Entry DOI: 10.7270/Q2FT8KJ5
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50332562 (CHEMBL1630516 | N-{(S)-3-[2-(4-isopropoxy-phenoxy)...) Show SMILES CC(C)Oc1ccc(Oc2ncc(s2)C#C[C@H](C)NC(C)=O)cc1 |r| Show InChI InChI=1S/C18H20N2O3S/c1-12(2)22-15-6-8-16(9-7-15)23-18-19-11-17(24-18)10-5-13(3)20-14(4)21/h6-9,11-13H,1-4H3,(H,20,21)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human recombinant ACC2 expressed in high five insect cells by ATP consumption assay				J Med Chem 53: 8679-87 (2010) Article DOI: 10.1021/jm101179e BindingDB Entry DOI: 10.7270/Q28K79BT
					More data for this Ligand-Target Pair
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM50174397 (CHEMBL370848 | N-{4-Chloro-3-[3-(2-chloro-4,5-difl...) Show SMILES CC(=O)Nc1ccc(Cl)c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)c1 Show InChI InChI=1S/C16H11Cl2F2N3O3/c1-7(24)21-8-2-3-10(17)14(4-8)22-16(26)23-15(25)9-5-12(19)13(20)6-11(9)18/h2-6H,1H3,(H,21,24)(H2,22,23,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	7.2	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate upon incubating for 40 min at 25 de...				J Med Chem 48: 6178-93 (2005) Article DOI: 10.1021/jm049034y BindingDB Entry DOI: 10.7270/Q2FT8KJ5
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50332564 (CHEMBL1630703 | trans-(S)-N-(1-(4-(6-isopropoxypyr...) Show SMILES CC(C)Oc1ccc(O[C@H]2CC[C@@H](CC2)OC[C@H](C)NC(C)=O)cn1 |r,wU:17.18,9.8,wD:12.15,(37.18,-12.08,;38.51,-11.31,;38.51,-9.77,;39.84,-12.08,;41.18,-11.31,;42.51,-12.08,;43.85,-11.31,;43.84,-9.77,;45.17,-8.99,;46.51,-9.75,;47.83,-8.97,;49.17,-9.73,;49.18,-11.28,;47.85,-12.05,;46.51,-11.29,;50.52,-12.04,;51.85,-11.26,;53.18,-12.03,;53.17,-13.56,;54.51,-11.25,;55.85,-12.01,;57.18,-11.24,;55.86,-13.55,;42.51,-9,;41.18,-9.77,)| Show InChI InChI=1S/C19H30N2O4/c1-13(2)24-19-10-9-18(11-20-19)25-17-7-5-16(6-8-17)23-12-14(3)21-15(4)22/h9-11,13-14,16-17H,5-8,12H2,1-4H3,(H,21,22)/t14-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human recombinant ACC2 expressed in high five insect cells by ATP consumption assay				J Med Chem 53: 8679-87 (2010) Article DOI: 10.1021/jm101179e BindingDB Entry DOI: 10.7270/Q28K79BT
					More data for this Ligand-Target Pair
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM50174375 (CHEMBL381870 | N-{3-[3-(2-Chloro-4,5-difluoro-benz...) Show SMILES COc1ccc(NC(C)=O)cc1NC(=O)NC(=O)c1cc(F)c(F)cc1Cl Show InChI InChI=1S/C17H14ClF2N3O4/c1-8(24)21-9-3-4-15(27-2)14(5-9)22-17(26)23-16(25)10-6-12(19)13(20)7-11(10)18/h3-7H,1-2H3,(H,21,24)(H2,22,23,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	7.2	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate upon incubating for 40 min at 25 de...				J Med Chem 48: 6178-93 (2005) Article DOI: 10.1021/jm049034y BindingDB Entry DOI: 10.7270/Q2FT8KJ5
					More data for this Ligand-Target Pair
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM50174397 (CHEMBL370848 | N-{4-Chloro-3-[3-(2-chloro-4,5-difl...) Show SMILES CC(=O)Nc1ccc(Cl)c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)c1 Show InChI InChI=1S/C16H11Cl2F2N3O3/c1-7(24)21-8-2-3-10(17)14(4-8)22-16(26)23-15(25)9-5-12(19)13(20)6-11(9)18/h2-6H,1H3,(H,21,24)(H2,22,23,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	60.3	n/a	n/a	n/a	n/a	7.2	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Logarithmic inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate and incubated for 40 mi...				J Med Chem 48: 6178-93 (2005) Article DOI: 10.1021/jm049034y BindingDB Entry DOI: 10.7270/Q2FT8KJ5
					More data for this Ligand-Target Pair
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM50174375 (CHEMBL381870 | N-{3-[3-(2-Chloro-4,5-difluoro-benz...) Show SMILES COc1ccc(NC(C)=O)cc1NC(=O)NC(=O)c1cc(F)c(F)cc1Cl Show InChI InChI=1S/C17H14ClF2N3O4/c1-8(24)21-9-3-4-15(27-2)14(5-9)22-17(26)23-16(25)10-6-12(19)13(20)7-11(10)18/h3-7H,1-2H3,(H,21,24)(H2,22,23,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60.3	n/a	n/a	n/a	n/a	7.2	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Logarithmic inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate and incubated for 40 mi...				J Med Chem 48: 6178-93 (2005) Article DOI: 10.1021/jm049034y BindingDB Entry DOI: 10.7270/Q2FT8KJ5
					More data for this Ligand-Target Pair
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM50174372 (1-(2-Chloro-benzoyl)-3-(5-hydroxy-2-methoxy-phenyl...) Show SMILES COc1ccc(O)cc1NC(=O)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C15H13ClN2O4/c1-22-13-7-6-9(19)8-12(13)17-15(21)18-14(20)10-4-2-3-5-11(10)16/h2-8,19H,1H3,(H2,17,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64.6	n/a	n/a	n/a	n/a	7.2	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Logarithmic inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate and incubated for 40 mi...				J Med Chem 48: 6178-93 (2005) Article DOI: 10.1021/jm049034y BindingDB Entry DOI: 10.7270/Q2FT8KJ5
					More data for this Ligand-Target Pair
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM50174372 (1-(2-Chloro-benzoyl)-3-(5-hydroxy-2-methoxy-phenyl...) Show SMILES COc1ccc(O)cc1NC(=O)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C15H13ClN2O4/c1-22-13-7-6-9(19)8-12(13)17-15(21)18-14(20)10-4-2-3-5-11(10)16/h2-8,19H,1H3,(H2,17,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	7.2	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate upon incubating for 40 min at 25 de...				J Med Chem 48: 6178-93 (2005) Article DOI: 10.1021/jm049034y BindingDB Entry DOI: 10.7270/Q2FT8KJ5
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50332554 (CHEMBL1630706 | trans-N-(3-(5-(5-(benzyloxy)pyridi...) Show SMILES CC(=O)NCCC[C@H]1OC[C@@H](CO1)Oc1ccc(OCc2ccccc2)cn1 |r,wU:10.13,wD:7.6,(36.32,-14.16,;34.99,-14.93,;34.99,-16.47,;33.65,-14.16,;32.32,-14.93,;30.99,-14.16,;29.65,-14.92,;28.32,-14.16,;28.32,-12.61,;26.98,-11.84,;25.66,-12.62,;25.66,-14.16,;26.99,-14.92,;24.32,-11.84,;22.99,-12.63,;23,-14.18,;21.66,-14.95,;20.33,-14.18,;18.99,-14.95,;17.66,-14.18,;16.33,-14.94,;14.99,-14.18,;13.66,-14.94,;13.66,-16.48,;15,-17.25,;16.33,-16.48,;20.33,-12.63,;21.66,-11.86,)| Show InChI InChI=1S/C21H26N2O5/c1-16(24)22-11-5-8-21-26-14-19(15-27-21)28-20-10-9-18(12-23-20)25-13-17-6-3-2-4-7-17/h2-4,6-7,9-10,12,19,21H,5,8,11,13-15H2,1H3,(H,22,24)/t19-,21-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human recombinant ACC2 expressed in high five insect cells by ATP consumption assay				J Med Chem 53: 8679-87 (2010) Article DOI: 10.1021/jm101179e BindingDB Entry DOI: 10.7270/Q28K79BT
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50189617 ((3R)-1'-(9-anthrylcarbonyl)-3-(morpholin-4-ylcarbo...) Show SMILES O=C([C@@H]1CCCN(C1)C1CCN(CC1)C(=O)c1c2ccccc2cc2ccccc12)N1CCOCC1 |r| Show InChI InChI=1S/C30H35N3O3/c34-29(32-16-18-36-19-17-32)24-8-5-13-33(21-24)25-11-14-31(15-12-25)30(35)28-26-9-3-1-6-22(26)20-23-7-2-4-10-27(23)28/h1-4,6-7,9-10,20,24-25H,5,8,11-19,21H2/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human recombinant ACC2 expressed in high five insect cells by ATP consumption assay				J Med Chem 53: 8679-87 (2010) Article DOI: 10.1021/jm101179e BindingDB Entry DOI: 10.7270/Q28K79BT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429974 (CHEMBL2334642) Show SMILES FC(F)(F)c1ccccc1C(=O)c1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1nccs1 Show InChI InChI=1S/C26H17F3N4O2S/c27-26(28,29)19-4-2-1-3-18(19)23(34)15-5-7-16(8-6-15)24-32-20-10-9-17(13-21(20)33-24)25(35)31-14-22-30-11-12-36-22/h1-13H,14H2,(H,31,35)(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM50174366 (1-(2-Chloro-4-fluoro-benzoyl)-3-[4-(1H-tetrazol-5-...) Show SMILES Fc1ccc(C(=O)NC(=O)Nc2ccc(cc2OC(F)(F)F)-c2nnn[nH]2)c(Cl)c1 Show InChI InChI=1S/C16H9ClF4N6O3/c17-10-6-8(18)2-3-9(10)14(28)23-15(29)22-11-4-1-7(13-24-26-27-25-13)5-12(11)30-16(19,20)21/h1-6H,(H2,22,23,28,29)(H,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	79.4	n/a	n/a	n/a	n/a	7.2	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Logarithmic inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate and incubated for 40 mi...				J Med Chem 48: 6178-93 (2005) Article DOI: 10.1021/jm049034y BindingDB Entry DOI: 10.7270/Q2FT8KJ5
					More data for this Ligand-Target Pair
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM50174366 (1-(2-Chloro-4-fluoro-benzoyl)-3-[4-(1H-tetrazol-5-...) Show SMILES Fc1ccc(C(=O)NC(=O)Nc2ccc(cc2OC(F)(F)F)-c2nnn[nH]2)c(Cl)c1 Show InChI InChI=1S/C16H9ClF4N6O3/c17-10-6-8(18)2-3-9(10)14(28)23-15(29)22-11-4-1-7(13-24-26-27-25-13)5-12(11)30-16(19,20)21/h1-6H,(H2,22,23,28,29)(H,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	7.2	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate upon incubating for 40 min at 25 de...				J Med Chem 48: 6178-93 (2005) Article DOI: 10.1021/jm049034y BindingDB Entry DOI: 10.7270/Q2FT8KJ5
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM97622 (CHEMBL1630701 | US8470841, 51) Show SMILES CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(=O)C3CC3)cc2)cn1 |r| Show InChI InChI=1S/C22H28N2O3/c1-15(2)26-21-13-12-20(14-23-21)27-19-10-6-17(7-11-19)5-4-16(3)24-22(25)18-8-9-18/h6-7,10-16,18H,4-5,8-9H2,1-3H3,(H,24,25)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human recombinant ACC2 expressed in high five insect cells by ATP consumption assay				J Med Chem 53: 8679-87 (2010) Article DOI: 10.1021/jm101179e BindingDB Entry DOI: 10.7270/Q28K79BT
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM97611 (CHEMBL1630712 | US8470841, 36) Show SMILES CC(CCc1ccc(Oc2ccc(OCc3ccccc3)nc2)cc1)NC(C)=O Show InChI InChI=1S/C24H26N2O3/c1-18(26-19(2)27)8-9-20-10-12-22(13-11-20)29-23-14-15-24(25-16-23)28-17-21-6-4-3-5-7-21/h3-7,10-16,18H,8-9,17H2,1-2H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human recombinant ACC2 expressed in high five insect cells by ATP consumption assay				J Med Chem 53: 8679-87 (2010) Article DOI: 10.1021/jm101179e BindingDB Entry DOI: 10.7270/Q28K79BT
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429988 (CHEMBL2334628) Show SMILES OC(c1ccc2nc([nH]c2c1)-c1ccc(OCc2ccccc2)cc1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C28H21F3N2O2/c29-28(30,31)23-9-5-4-8-22(23)26(34)20-12-15-24-25(16-20)33-27(32-24)19-10-13-21(14-11-19)35-17-18-6-2-1-3-7-18/h1-16,26,34H,17H2,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM50174384 (5-Chloro-4-[3-(2-chloro-4,5-difluoro-benzoyl)-urei...) Show SMILES OC(=O)c1cc(Cl)c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc1O Show InChI InChI=1S/C15H8Cl2F2N2O5/c16-7-3-10(19)9(18)2-5(7)13(23)21-15(26)20-11-4-12(22)6(14(24)25)1-8(11)17/h1-4,22H,(H,24,25)(H2,20,21,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89.1	n/a	n/a	n/a	n/a	7.2	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Logarithmic inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate and incubated for 40 mi...				J Med Chem 48: 6178-93 (2005) Article DOI: 10.1021/jm049034y BindingDB Entry DOI: 10.7270/Q2FT8KJ5
					More data for this Ligand-Target Pair
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM50174384 (5-Chloro-4-[3-(2-chloro-4,5-difluoro-benzoyl)-urei...) Show SMILES OC(=O)c1cc(Cl)c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)cc1O Show InChI InChI=1S/C15H8Cl2F2N2O5/c16-7-3-10(19)9(18)2-5(7)13(23)21-15(26)20-11-4-12(22)6(14(24)25)1-8(11)17/h1-4,22H,(H,24,25)(H2,20,21,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	7.2	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate upon incubating for 40 min at 25 de...				J Med Chem 48: 6178-93 (2005) Article DOI: 10.1021/jm049034y BindingDB Entry DOI: 10.7270/Q2FT8KJ5
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429970 (CHEMBL2334646) Show SMILES FC(F)(F)c1ccccc1C(=O)c1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1cccs1 Show InChI InChI=1S/C27H18F3N3O2S/c28-27(29,30)21-6-2-1-5-20(21)24(34)16-7-9-17(10-8-16)25-32-22-12-11-18(14-23(22)33-25)26(35)31-15-19-4-3-13-36-19/h1-14H,15H2,(H,31,35)(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM64583 (BDBM50332551 | US8470841, 19) Show SMILES C[C@@H](CCc1ccc(Oc2ccc(OCc3ccccc3)cn2)cc1)NC(C)=O |r| Show InChI InChI=1S/C24H26N2O3/c1-18(26-19(2)27)8-9-20-10-12-22(13-11-20)29-24-15-14-23(16-25-24)28-17-21-6-4-3-5-7-21/h3-7,10-16,18H,8-9,17H2,1-2H3,(H,26,27)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human recombinant ACC2 expressed in high five insect cells by ATP consumption assay				J Med Chem 53: 8679-87 (2010) Article DOI: 10.1021/jm101179e BindingDB Entry DOI: 10.7270/Q28K79BT
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429974 (CHEMBL2334642) Show SMILES FC(F)(F)c1ccccc1C(=O)c1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1nccs1 Show InChI InChI=1S/C26H17F3N4O2S/c27-26(28,29)19-4-2-1-3-18(19)23(34)15-5-7-16(8-6-15)24-32-20-10-9-17(13-21(20)33-24)25(35)31-14-22-30-11-12-36-22/h1-13H,14H2,(H,31,35)(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in rat H42E cells				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429985 (CHEMBL2334631) Show SMILES Clc1ccccc1Oc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1nccs1 Show InChI InChI=1S/C24H17ClN4O2S/c25-18-3-1-2-4-21(18)31-17-8-5-15(6-9-17)23-28-19-10-7-16(13-20(19)29-23)24(30)27-14-22-26-11-12-32-22/h1-13H,14H2,(H,27,30)(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM50174378 (1-(2-Chloro-4-fluoro-benzoyl)-3-(3,4-dihydroxy-phe...) Show SMILES Oc1ccc(NC(=O)NC(=O)c2ccc(F)cc2Cl)cc1O Show InChI InChI=1S/C14H10ClFN2O4/c15-10-5-7(16)1-3-9(10)13(21)18-14(22)17-8-2-4-11(19)12(20)6-8/h1-6,19-20H,(H2,17,18,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	7.2	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate upon incubating for 40 min at 25 de...				J Med Chem 48: 6178-93 (2005) Article DOI: 10.1021/jm049034y BindingDB Entry DOI: 10.7270/Q2FT8KJ5
					More data for this Ligand-Target Pair
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM50174378 (1-(2-Chloro-4-fluoro-benzoyl)-3-(3,4-dihydroxy-phe...) Show SMILES Oc1ccc(NC(=O)NC(=O)c2ccc(F)cc2Cl)cc1O Show InChI InChI=1S/C14H10ClFN2O4/c15-10-5-7(16)1-3-9(10)13(21)18-14(22)17-8-2-4-11(19)12(20)6-8/h1-6,19-20H,(H2,17,18,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	7.2	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Logarithmic inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate and incubated for 40 mi...				J Med Chem 48: 6178-93 (2005) Article DOI: 10.1021/jm049034y BindingDB Entry DOI: 10.7270/Q2FT8KJ5
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429973 (CHEMBL2334643) Show SMILES FC(F)(F)c1ccccc1C(=O)c1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1ccc(Cl)s1 Show InChI InChI=1S/C27H17ClF3N3O2S/c28-23-12-10-18(37-23)14-32-26(36)17-9-11-21-22(13-17)34-25(33-21)16-7-5-15(6-8-16)24(35)19-3-1-2-4-20(19)27(29,30)31/h1-13H,14H2,(H,32,36)(H,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50332563 (CHEMBL1630721 | trans-(S)-N-(4-(4-(6-isopropoxypyr...) Show SMILES CC(C)Oc1ccc(O[C@H]2CC[C@H](CC[C@H](C)NC(C)=O)CC2)cn1 |r,wU:15.15,9.8,wD:12.12,(-5.64,-6.46,;-4.31,-5.7,;-4.3,-4.16,;-2.97,-6.47,;-1.64,-5.7,;-.3,-6.47,;1.03,-5.7,;1.03,-4.15,;2.36,-3.37,;3.7,-4.14,;5.02,-3.36,;6.35,-4.11,;6.36,-5.66,;7.7,-6.43,;9.03,-5.65,;10.37,-6.41,;10.35,-7.95,;11.7,-5.63,;13.03,-6.4,;14.36,-5.62,;13.04,-7.94,;5.03,-6.44,;3.7,-5.67,;-.31,-3.38,;-1.64,-4.15,)| Show InChI InChI=1S/C20H32N2O3/c1-14(2)24-20-12-11-19(13-21-20)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h11-15,17-18H,5-10H2,1-4H3,(H,22,23)/t15-,17-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human recombinant ACC1 expressed in high five insect cells by ATP consumption assay				J Med Chem 53: 8679-87 (2010) Article DOI: 10.1021/jm101179e BindingDB Entry DOI: 10.7270/Q28K79BT
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50332552 (CHEMBL1630708 | N-(4-(4-(5-(cyclopentyloxy)pyridin...) Show SMILES CC(CCc1ccc(Oc2ccc(OC3CCCC3)cn2)cc1)NC(C)=O Show InChI InChI=1S/C22H28N2O3/c1-16(24-17(2)25)7-8-18-9-11-20(12-10-18)27-22-14-13-21(15-23-22)26-19-5-3-4-6-19/h9-16,19H,3-8H2,1-2H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human recombinant ACC2 expressed in high five insect cells by ATP consumption assay				J Med Chem 53: 8679-87 (2010) Article DOI: 10.1021/jm101179e BindingDB Entry DOI: 10.7270/Q28K79BT
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429980 (CHEMBL2334636) Show SMILES FC(F)(F)c1ccccc1Oc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1ccc(Cl)s1 Show InChI InChI=1S/C26H17ClF3N3O2S/c27-23-12-10-18(36-23)14-31-25(34)16-7-11-20-21(13-16)33-24(32-20)15-5-8-17(9-6-15)35-22-4-2-1-3-19(22)26(28,29)30/h1-13H,14H2,(H,31,34)(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	142	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM50174405 (4-[3-(2-Chloro-4-fluoro-benzoyl)-ureido]-3-trifluo...) Show SMILES OC(=O)c1ccc(NC(=O)NC(=O)c2ccc(F)cc2Cl)c(OC(F)(F)F)c1 Show InChI InChI=1S/C16H9ClF4N2O5/c17-10-6-8(18)2-3-9(10)13(24)23-15(27)22-11-4-1-7(14(25)26)5-12(11)28-16(19,20)21/h1-6H,(H,25,26)(H2,22,23,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	7.2	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate upon incubating for 40 min at 25 de...				J Med Chem 48: 6178-93 (2005) Article DOI: 10.1021/jm049034y BindingDB Entry DOI: 10.7270/Q2FT8KJ5
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM97618 (CHEMBL1630702 | US8470841, 47) Show SMILES CC(C)Oc1ccc(Oc2ccc(CCC(C)NC(N)=O)cc2)cn1 Show InChI InChI=1S/C19H25N3O3/c1-13(2)24-18-11-10-17(12-21-18)25-16-8-6-15(7-9-16)5-4-14(3)22-19(20)23/h6-14H,4-5H2,1-3H3,(H3,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human recombinant ACC2 expressed in high five insect cells by ATP consumption assay				J Med Chem 53: 8679-87 (2010) Article DOI: 10.1021/jm101179e BindingDB Entry DOI: 10.7270/Q28K79BT
					More data for this Ligand-Target Pair
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM50174373 (5-Chloro-4-[3-(2,4-dichloro-benzoyl)-ureido]-2-hyd...) Show SMILES OC(=O)c1cc(Cl)c(NC(=O)NC(=O)c2ccc(Cl)cc2Cl)cc1O Show InChI InChI=1S/C15H9Cl3N2O5/c16-6-1-2-7(9(17)3-6)13(22)20-15(25)19-11-5-12(21)8(14(23)24)4-10(11)18/h1-5,21H,(H,23,24)(H2,19,20,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	7.2	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate upon incubating for 40 min at 25 de...				J Med Chem 48: 6178-93 (2005) Article DOI: 10.1021/jm049034y BindingDB Entry DOI: 10.7270/Q2FT8KJ5
					More data for this Ligand-Target Pair
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM50174405 (4-[3-(2-Chloro-4-fluoro-benzoyl)-ureido]-3-trifluo...) Show SMILES OC(=O)c1ccc(NC(=O)NC(=O)c2ccc(F)cc2Cl)c(OC(F)(F)F)c1 Show InChI InChI=1S/C16H9ClF4N2O5/c17-10-6-8(18)2-3-9(10)13(24)23-15(27)22-11-4-1-7(14(25)26)5-12(11)28-16(19,20)21/h1-6H,(H,25,26)(H2,22,23,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	151	n/a	n/a	n/a	n/a	7.2	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Logarithmic inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate and incubated for 40 mi...				J Med Chem 48: 6178-93 (2005) Article DOI: 10.1021/jm049034y BindingDB Entry DOI: 10.7270/Q2FT8KJ5
					More data for this Ligand-Target Pair
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM50174373 (5-Chloro-4-[3-(2,4-dichloro-benzoyl)-ureido]-2-hyd...) Show SMILES OC(=O)c1cc(Cl)c(NC(=O)NC(=O)c2ccc(Cl)cc2Cl)cc1O Show InChI InChI=1S/C15H9Cl3N2O5/c16-6-1-2-7(9(17)3-6)13(22)20-15(25)19-11-5-12(21)8(14(23)24)4-10(11)18/h1-5,21H,(H,23,24)(H2,19,20,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	151	n/a	n/a	n/a	n/a	7.2	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Logarithmic inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate and incubated for 40 mi...				J Med Chem 48: 6178-93 (2005) Article DOI: 10.1021/jm049034y BindingDB Entry DOI: 10.7270/Q2FT8KJ5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50429973 (CHEMBL2334643) Show SMILES FC(F)(F)c1ccccc1C(=O)c1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1ccc(Cl)s1 Show InChI InChI=1S/C27H17ClF3N3O2S/c28-23-12-10-18(37-23)14-32-26(36)17-9-11-21-22(13-17)34-25(33-21)16-7-5-15(6-8-16)24(35)19-3-1-2-4-20(19)27(29,30)31/h1-13H,14H2,(H,32,36)(H,33,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	157	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM50174362 (4-[3-(2-Chloro-4-fluoro-benzoyl)-ureido]-2-hydroxy...) Show SMILES COc1cc(C(O)=O)c(O)cc1NC(=O)NC(=O)c1ccc(F)cc1Cl Show InChI InChI=1S/C16H12ClFN2O6/c1-26-13-5-9(15(23)24)12(21)6-11(13)19-16(25)20-14(22)8-3-2-7(18)4-10(8)17/h2-6,21H,1H3,(H,23,24)(H2,19,20,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	7.2	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Logarithmic inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate and incubated for 40 mi...				J Med Chem 48: 6178-93 (2005) Article DOI: 10.1021/jm049034y BindingDB Entry DOI: 10.7270/Q2FT8KJ5
					More data for this Ligand-Target Pair
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM50174403 (1-{4-Chloro-3-[3-(2,4-dichloro-benzoyl)-ureido]-ph...) Show SMILES CNC(=O)Nc1ccc(Cl)c(NC(=O)NC(=O)c2ccc(Cl)cc2Cl)c1 Show InChI InChI=1S/C16H13Cl3N4O3/c1-20-15(25)21-9-3-5-11(18)13(7-9)22-16(26)23-14(24)10-4-2-8(17)6-12(10)19/h2-7H,1H3,(H2,20,21,25)(H2,22,23,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	7.2	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Logarithmic inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate and incubated for 40 mi...				J Med Chem 48: 6178-93 (2005) Article DOI: 10.1021/jm049034y BindingDB Entry DOI: 10.7270/Q2FT8KJ5
					More data for this Ligand-Target Pair
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM50174374 (3-Chloro-4-[3-(2-chloro-4-fluoro-benzoyl)-ureido]-...) Show SMILES OC(=O)c1ccc(NC(=O)NC(=O)c2ccc(F)cc2Cl)c(Cl)c1 Show InChI InChI=1S/C15H9Cl2FN2O4/c16-10-6-8(18)2-3-9(10)13(21)20-15(24)19-12-4-1-7(14(22)23)5-11(12)17/h1-6H,(H,22,23)(H2,19,20,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	7.2	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Logarithmic inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate and incubated for 40 mi...				J Med Chem 48: 6178-93 (2005) Article DOI: 10.1021/jm049034y BindingDB Entry DOI: 10.7270/Q2FT8KJ5
					More data for this Ligand-Target Pair
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM50174362 (4-[3-(2-Chloro-4-fluoro-benzoyl)-ureido]-2-hydroxy...) Show SMILES COc1cc(C(O)=O)c(O)cc1NC(=O)NC(=O)c1ccc(F)cc1Cl Show InChI InChI=1S/C16H12ClFN2O6/c1-26-13-5-9(15(23)24)12(21)6-11(13)19-16(25)20-14(22)8-3-2-7(18)4-10(8)17/h2-6,21H,1H3,(H,23,24)(H2,19,20,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	7.2	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate upon incubating for 40 min at 25 de...				J Med Chem 48: 6178-93 (2005) Article DOI: 10.1021/jm049034y BindingDB Entry DOI: 10.7270/Q2FT8KJ5
					More data for this Ligand-Target Pair
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM50174403 (1-{4-Chloro-3-[3-(2,4-dichloro-benzoyl)-ureido]-ph...) Show SMILES CNC(=O)Nc1ccc(Cl)c(NC(=O)NC(=O)c2ccc(Cl)cc2Cl)c1 Show InChI InChI=1S/C16H13Cl3N4O3/c1-20-15(25)21-9-3-5-11(18)13(7-9)22-16(26)23-14(24)10-4-2-8(17)6-12(10)19/h2-7H,1H3,(H2,20,21,25)(H2,22,23,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	7.2	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate upon incubating for 40 min at 25 de...				J Med Chem 48: 6178-93 (2005) Article DOI: 10.1021/jm049034y BindingDB Entry DOI: 10.7270/Q2FT8KJ5
					More data for this Ligand-Target Pair
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM50174374 (3-Chloro-4-[3-(2-chloro-4-fluoro-benzoyl)-ureido]-...) Show SMILES OC(=O)c1ccc(NC(=O)NC(=O)c2ccc(F)cc2Cl)c(Cl)c1 Show InChI InChI=1S/C15H9Cl2FN2O4/c16-10-6-8(18)2-3-9(10)13(21)20-15(24)19-12-4-1-7(14(22)23)5-11(12)17/h1-6H,(H,22,23)(H2,19,20,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	7.2	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate upon incubating for 40 min at 25 de...				J Med Chem 48: 6178-93 (2005) Article DOI: 10.1021/jm049034y BindingDB Entry DOI: 10.7270/Q2FT8KJ5
					More data for this Ligand-Target Pair

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