Compile Data Set for Download or QSAR

Found 95 hits with Last Name = 'busby' and Initial = 'j'   

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
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM195608 (CPI-455) Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1 Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	n/a
Genentech Inc					Assay Description Time-resolved fluorescence resonance energy transfer (TR-FRET) assays were carried out using full-length KDM5 enzymes in 384-well black ProxiPlates (...				Nat Chem Biol 12: 531-8 (2016) Article DOI: 10.1038/nchembio.2085 BindingDB Entry DOI: 10.7270/Q2CF9NXW
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50446517 (CHEMBL3110092) Show SMILES CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(n2)[C@H](C)NC(C)=O)c(C)c1 |r| Show InChI InChI=1S/C20H29N5O3/c1-6-27-17-7-8-18(13(2)11-17)24-9-10-25(14(3)12-24)20-22-19(28-23-20)15(4)21-16(5)26/h7-8,11,14-15H,6,9-10,12H2,1-5H3,(H,21,26)/t14-,15-/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	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 expressed in CHOK1 cells assessed as acetylCoA to malonylCoA conversion after 1 hr by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50446514 (CHEMBL3110076) Show SMILES CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(n2)C2(CCC2)NC(C)=O)c(C)c1 |r| Show InChI InChI=1S/C22H31N5O3/c1-5-29-18-7-8-19(15(2)13-18)26-11-12-27(16(3)14-26)21-23-20(30-25-21)22(9-6-10-22)24-17(4)28/h7-8,13,16H,5-6,9-12,14H2,1-4H3,(H,24,28)/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	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 expressed in CHOK1 cells assessed as acetylCoA to malonylCoA conversion after 1 hr by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50446515 (CHEMBL3110075) Show SMILES CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(n2)C(C)(C)NC(C)=O)c(C)c1 |r| Show InChI InChI=1S/C21H31N5O3/c1-7-28-17-8-9-18(14(2)12-17)25-10-11-26(15(3)13-25)20-22-19(29-24-20)21(5,6)23-16(4)27/h8-9,12,15H,7,10-11,13H2,1-6H3,(H,23,27)/t15-/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	9.80	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 expressed in CHOK1 cells assessed as acetylCoA to malonylCoA conversion after 1 hr by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM195608 (CPI-455) Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1 Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.0	n/a
Genentech Inc					Assay Description Time-resolved fluorescence resonance energy transfer (TR-FRET) assays were carried out using full-length KDM5 enzymes in 384-well black ProxiPlates (...				Nat Chem Biol 12: 531-8 (2016) Article DOI: 10.1038/nchembio.2085 BindingDB Entry DOI: 10.7270/Q2CF9NXW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50446516 (CHEMBL3110093) Show SMILES CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(n2)[C@@H](C)NC(C)=O)c(C)c1 |r| Show InChI InChI=1S/C20H29N5O3/c1-6-27-17-7-8-18(13(2)11-17)24-9-10-25(14(3)12-24)20-22-19(28-23-20)15(4)21-16(5)26/h7-8,11,14-15H,6,9-10,12H2,1-5H3,(H,21,26)/t14-,15+/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	13	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 expressed in CHOK1 cells assessed as acetylCoA to malonylCoA conversion after 1 hr by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5C (Homo sapiens (Human))	BDBM195608 (CPI-455) Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1 Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	7.0	n/a
Genentech Inc					Assay Description Time-resolved fluorescence resonance energy transfer (TR-FRET) assays were carried out using full-length KDM5 enzymes in 384-well black ProxiPlates (...				Nat Chem Biol 12: 531-8 (2016) Article DOI: 10.1038/nchembio.2085 BindingDB Entry DOI: 10.7270/Q2CF9NXW
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM195608 (CPI-455) Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1 Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.0	n/a
Genentech Inc					Assay Description Time-resolved fluorescence resonance energy transfer (TR-FRET) assays were carried out using full-length KDM5 enzymes in 384-well black ProxiPlates (...				Nat Chem Biol 12: 531-8 (2016) Article DOI: 10.1038/nchembio.2085 BindingDB Entry DOI: 10.7270/Q2CF9NXW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM195610 (KDM inhibitor, 3) Show SMILES CCc1c(C)[nH]c2c(cnn2c1=O)C#N Show InChI InChI=1S/C10H10N4O/c1-3-8-6(2)13-9-7(4-11)5-12-14(9)10(8)15/h5,13H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.0	n/a
Genentech Inc					Assay Description Time-resolved fluorescence resonance energy transfer (TR-FRET) assays were carried out using full-length KDM5 enzymes in 384-well black ProxiPlates (...				Nat Chem Biol 12: 531-8 (2016) Article DOI: 10.1038/nchembio.2085 BindingDB Entry DOI: 10.7270/Q2CF9NXW
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50446517 (CHEMBL3110092) Show SMILES CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(n2)[C@H](C)NC(C)=O)c(C)c1 |r| Show InChI InChI=1S/C20H29N5O3/c1-6-27-17-7-8-18(13(2)11-17)24-9-10-25(14(3)12-24)20-22-19(28-23-20)15(4)21-16(5)26/h7-8,11,14-15H,6,9-10,12H2,1-5H3,(H,21,26)/t14-,15-/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	24	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50446528 (CHEMBL3110081) Show SMILES CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(CC)n2)c(C)c1 |r| Show InChI InChI=1S/C18H26N4O2/c1-5-17-19-18(20-24-17)22-10-9-21(12-14(22)4)16-8-7-15(23-6-2)11-13(16)3/h7-8,11,14H,5-6,9-10,12H2,1-4H3/t14-/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	37	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50446528 (CHEMBL3110081) Show SMILES CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(CC)n2)c(C)c1 |r| Show InChI InChI=1S/C18H26N4O2/c1-5-17-19-18(20-24-17)22-10-9-21(12-14(22)4)16-8-7-15(23-6-2)11-13(16)3/h7-8,11,14H,5-6,9-10,12H2,1-4H3/t14-/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	39	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 expressed in CHOK1 cells assessed as acetylCoA to malonylCoA conversion after 1 hr by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50446516 (CHEMBL3110093) Show SMILES CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(n2)[C@@H](C)NC(C)=O)c(C)c1 |r| Show InChI InChI=1S/C20H29N5O3/c1-6-27-17-7-8-18(13(2)11-17)24-9-10-25(14(3)12-24)20-22-19(28-23-20)15(4)21-16(5)26/h7-8,11,14-15H,6,9-10,12H2,1-5H3,(H,21,26)/t14-,15+/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	40	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50446514 (CHEMBL3110076) Show SMILES CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(n2)C2(CCC2)NC(C)=O)c(C)c1 |r| Show InChI InChI=1S/C22H31N5O3/c1-5-29-18-7-8-19(15(2)13-18)26-11-12-27(16(3)14-26)21-23-20(30-25-21)22(9-6-10-22)24-17(4)28/h7-8,13,16H,5-6,9-12,14H2,1-4H3,(H,24,28)/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	54	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50446518 (CHEMBL3110091) Show SMILES CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(CNC(C)=O)n2)c(C)c1 |r| Show InChI InChI=1S/C19H27N5O3/c1-5-26-16-6-7-17(13(2)10-16)23-8-9-24(14(3)12-23)19-21-18(27-22-19)11-20-15(4)25/h6-7,10,14H,5,8-9,11-12H2,1-4H3,(H,20,25)/t14-/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	64	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 expressed in CHOK1 cells assessed as acetylCoA to malonylCoA conversion after 1 hr by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50446535 (CHEMBL3110098) Show SMILES CCCOc1ccc(N2CCN([C@@H](C)C2)c2noc(CC)n2)c(C)c1 |r| Show InChI InChI=1S/C19H28N4O2/c1-5-11-24-16-7-8-17(14(3)12-16)22-9-10-23(15(4)13-22)19-20-18(6-2)25-21-19/h7-8,12,15H,5-6,9-11,13H2,1-4H3/t15-/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	71	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM195609 (CPI-4203) Show SMILES CCc1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1C Show InChI InChI=1S/C16H14N4O/c1-3-12-14(13-7-5-4-6-10(13)2)19-15-11(8-17)9-18-20(15)16(12)21/h4-7,9,19H,3H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	7.0	n/a
Genentech Inc					Assay Description Time-resolved fluorescence resonance energy transfer (TR-FRET) assays were carried out using full-length KDM5 enzymes in 384-well black ProxiPlates (...				Nat Chem Biol 12: 531-8 (2016) Article DOI: 10.1038/nchembio.2085 BindingDB Entry DOI: 10.7270/Q2CF9NXW
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Mus musculus)	BDBM50446514 (CHEMBL3110076) Show SMILES CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(n2)C2(CCC2)NC(C)=O)c(C)c1 |r| Show InChI InChI=1S/C22H31N5O3/c1-5-29-18-7-8-19(15(2)13-18)26-11-12-27(16(3)14-26)21-23-20(30-25-21)22(9-6-10-22)24-17(4)28/h7-8,13,16H,5-6,9-12,14H2,1-4H3,(H,24,28)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of mouse ACC2				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50446512 (CHEMBL3110095) Show SMILES CCCOc1ccc(c(C)c1)-c1ccc(cc1)-c1noc(CC)n1 Show InChI InChI=1S/C20H22N2O2/c1-4-12-23-17-10-11-18(14(3)13-17)15-6-8-16(9-7-15)20-21-19(5-2)24-22-20/h6-11,13H,4-5,12H2,1-3H3	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	103	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 expressed in CHOK1 cells assessed as acetylCoA to malonylCoA conversion after 1 hr by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50446512 (CHEMBL3110095) Show SMILES CCCOc1ccc(c(C)c1)-c1ccc(cc1)-c1noc(CC)n1 Show InChI InChI=1S/C20H22N2O2/c1-4-12-23-17-10-11-18(14(3)13-17)15-6-8-16(9-7-15)20-21-19(5-2)24-22-20/h6-11,13H,4-5,12H2,1-3H3	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	126	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50446511 (CHEMBL3110096) Show SMILES CCCOc1ccc(N2CCN(CC2)c2noc(CC)n2)c(C)c1 Show InChI InChI=1S/C18H26N4O2/c1-4-12-23-15-6-7-16(14(3)13-15)21-8-10-22(11-9-21)18-19-17(5-2)24-20-18/h6-7,13H,4-5,8-12H2,1-3H3	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	128	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 expressed in CHOK1 cells assessed as acetylCoA to malonylCoA conversion after 1 hr by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50446520 (CHEMBL3110089) Show SMILES CCOc1cc(C)c(cn1)N1CCN([C@@H](C)C1)c1noc(CC)n1 |r| Show InChI InChI=1S/C17H25N5O2/c1-5-15-19-17(20-24-15)22-8-7-21(11-13(22)4)14-10-18-16(23-6-2)9-12(14)3/h9-10,13H,5-8,11H2,1-4H3/t13-/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	159	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50446530 (CHEMBL3110079) Show SMILES CCCOc1ccc(N2CCN(C(C2)C(F)(F)F)c2noc(CC)n2)c(C)c1 Show InChI InChI=1S/C19H25F3N4O2/c1-4-10-27-14-6-7-15(13(3)11-14)25-8-9-26(16(12-25)19(20,21)22)18-23-17(5-2)28-24-18/h6-7,11,16H,4-5,8-10,12H2,1-3H3	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	166	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50446536 (CHEMBL3110097) Show SMILES CCCOc1ccc(N2CCN([C@H](C)C2)c2noc(CC)n2)c(C)c1 |r| Show InChI InChI=1S/C19H28N4O2/c1-5-11-24-16-7-8-17(14(3)12-16)22-9-10-23(15(4)13-22)19-20-18(6-2)25-21-19/h7-8,12,15H,5-6,9-11,13H2,1-4H3/t15-/m1/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	178	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50446514 (CHEMBL3110076) Show SMILES CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(n2)C2(CCC2)NC(C)=O)c(C)c1 |r| Show InChI InChI=1S/C22H31N5O3/c1-5-29-18-7-8-19(15(2)13-18)26-11-12-27(16(3)14-26)21-23-20(30-25-21)22(9-6-10-22)24-17(4)28/h7-8,13,16H,5-6,9-12,14H2,1-4H3,(H,24,28)/t16-/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	193	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC1 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM60875 (3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...) Show SMILES OC(=O)CCNc1cc(nc(n1)-c1ccccn1)N1CCc2ccccc2CC1 Show InChI InChI=1S/C22H23N5O2/c28-21(29)8-12-24-19-15-20(26-22(25-19)18-7-3-4-11-23-18)27-13-9-16-5-1-2-6-17(16)10-14-27/h1-7,11,15H,8-10,12-14H2,(H,28,29)(H,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc					Assay Description TR-FRET assays similar to those described above for KDM5 enzymes were carried out with full-length KDM2B, KDM3B, KDM4C, KDM6A and KDM7B.				Nat Chem Biol 12: 531-8 (2016) Article DOI: 10.1038/nchembio.2085 BindingDB Entry DOI: 10.7270/Q2CF9NXW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50446522 (CHEMBL3110087) Show SMILES CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(n2)C(C)(F)F)c(C)c1 |r| Show InChI InChI=1S/C18H24F2N4O2/c1-5-25-14-6-7-15(12(2)10-14)23-8-9-24(13(3)11-23)17-21-16(26-22-17)18(4,19)20/h6-7,10,13H,5,8-9,11H2,1-4H3/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	227	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50446532 (CHEMBL3110077) Show SMILES CCCOc1ccc(N2CCN([C@@H](CC)C2)c2noc(CC)n2)c(C)c1 |r| Show InChI InChI=1S/C20H30N4O2/c1-5-12-25-17-8-9-18(15(4)13-17)23-10-11-24(16(6-2)14-23)20-21-19(7-3)26-22-20/h8-9,13,16H,5-7,10-12,14H2,1-4H3/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	231	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50446524 (CHEMBL3110085) Show SMILES CCCOc1ccc(N2CCN([C@@H](C)C2)c2noc(CC)n2)c(Cl)c1 |r| Show InChI InChI=1S/C18H25ClN4O2/c1-4-10-24-14-6-7-16(15(19)11-14)22-8-9-23(13(3)12-22)18-20-17(5-2)25-21-18/h6-7,11,13H,4-5,8-10,12H2,1-3H3/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	244	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50446523 (CHEMBL3110086) Show SMILES CCCOc1ccc(N2CCN([C@@H](C)C2)c2noc(CC)n2)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C19H25F3N4O2/c1-4-10-27-14-6-7-16(15(11-14)19(20,21)22)25-8-9-26(13(3)12-25)18-23-17(5-2)28-24-18/h6-7,11,13H,4-5,8-10,12H2,1-3H3/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	246	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM195609 (CPI-4203) Show SMILES CCc1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1C Show InChI InChI=1S/C16H14N4O/c1-3-12-14(13-7-5-4-6-10(13)2)19-15-11(8-17)9-18-20(15)16(12)21/h4-7,9,19H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	248	n/a	n/a	n/a	n/a	7.0	n/a
Genentech Inc					Assay Description Time-resolved fluorescence resonance energy transfer (TR-FRET) assays were carried out using full-length KDM5 enzymes in 384-well black ProxiPlates (...				Nat Chem Biol 12: 531-8 (2016) Article DOI: 10.1038/nchembio.2085 BindingDB Entry DOI: 10.7270/Q2CF9NXW
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50446521 (CHEMBL3110088) Show SMILES CCOc1cnc(N2CCN([C@@H](C)C2)c2noc(CC)n2)c(C)c1 |r| Show InChI InChI=1S/C17H25N5O2/c1-5-15-19-17(20-24-15)22-8-7-21(11-13(22)4)16-12(3)9-14(10-18-16)23-6-2/h9-10,13H,5-8,11H2,1-4H3/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	258	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50446518 (CHEMBL3110091) Show SMILES CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(CNC(C)=O)n2)c(C)c1 |r| Show InChI InChI=1S/C19H27N5O3/c1-5-26-16-6-7-17(13(2)10-16)23-8-9-24(14(3)12-23)19-21-18(27-22-19)11-20-15(4)25/h6-7,10,14H,5,8-9,11-12H2,1-4H3,(H,20,25)/t14-/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	259	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50446527 (CHEMBL3110082) Show SMILES CCc1nc(no1)N1CCN(C[C@@H]1C)c1ccc(OC(C)C)cc1C |r| Show InChI InChI=1S/C19H28N4O2/c1-6-18-20-19(21-25-18)23-10-9-22(12-15(23)5)17-8-7-16(11-14(17)4)24-13(2)3/h7-8,11,13,15H,6,9-10,12H2,1-5H3/t15-/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	273	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50446531 (CHEMBL3110078) Show SMILES CCCOc1ccc(N2CCN([C@H](C2)C(C)C)c2noc(CC)n2)c(C)c1 |r| Show InChI InChI=1S/C21H32N4O2/c1-6-12-26-17-8-9-18(16(5)13-17)24-10-11-25(19(14-24)15(3)4)21-22-20(7-2)27-23-21/h8-9,13,15,19H,6-7,10-12,14H2,1-5H3/t19-/m1/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	335	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50446515 (CHEMBL3110075) Show SMILES CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(n2)C(C)(C)NC(C)=O)c(C)c1 |r| Show InChI InChI=1S/C21H31N5O3/c1-7-28-17-8-9-18(14(2)12-17)25-10-11-26(15(3)13-25)20-22-19(29-24-20)21(5,6)23-16(4)27/h8-9,12,15H,7,10-11,13H2,1-6H3,(H,23,27)/t15-/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	348	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50446519 (CHEMBL3110090) Show SMILES CCOc1cnc(N2CCN([C@@H](C)C2)c2noc(n2)C(C)(F)F)c(C)c1 |r| Show InChI InChI=1S/C17H23F2N5O2/c1-5-25-13-8-11(2)14(20-9-13)23-6-7-24(12(3)10-23)16-21-15(26-22-16)17(4,18)19/h8-9,12H,5-7,10H2,1-4H3/t12-/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	355	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50446513 (CHEMBL3110094) Show SMILES CCCOc1ccc(cc1)-c1ccc(cc1)-c1noc(CC)n1 Show InChI InChI=1S/C19H20N2O2/c1-3-13-22-17-11-9-15(10-12-17)14-5-7-16(8-6-14)19-20-18(4-2)23-21-19/h5-12H,3-4,13H2,1-2H3	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	359	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 expressed in CHOK1 cells assessed as acetylCoA to malonylCoA conversion after 1 hr by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50446517 (CHEMBL3110092) Show SMILES CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(n2)[C@H](C)NC(C)=O)c(C)c1 |r| Show InChI InChI=1S/C20H29N5O3/c1-6-27-17-7-8-18(13(2)11-17)24-9-10-25(14(3)12-24)20-22-19(28-23-20)15(4)21-16(5)26/h7-8,11,14-15H,6,9-10,12H2,1-5H3,(H,21,26)/t14-,15-/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	386	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC1 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50446511 (CHEMBL3110096) Show SMILES CCCOc1ccc(N2CCN(CC2)c2noc(CC)n2)c(C)c1 Show InChI InChI=1S/C18H26N4O2/c1-4-12-23-15-6-7-16(14(3)13-15)21-8-10-22(11-9-21)18-19-17(5-2)24-20-18/h6-7,13H,4-5,8-12H2,1-3H3	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	391	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5C (Homo sapiens (Human))	BDBM195609 (CPI-4203) Show SMILES CCc1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1C Show InChI InChI=1S/C16H14N4O/c1-3-12-14(13-7-5-4-6-10(13)2)19-15-11(8-17)9-18-20(15)16(12)21/h4-7,9,19H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	397	n/a	n/a	n/a	n/a	7.0	n/a
Genentech Inc					Assay Description Time-resolved fluorescence resonance energy transfer (TR-FRET) assays were carried out using full-length KDM5 enzymes in 384-well black ProxiPlates (...				Nat Chem Biol 12: 531-8 (2016) Article DOI: 10.1038/nchembio.2085 BindingDB Entry DOI: 10.7270/Q2CF9NXW
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Mus musculus)	BDBM50446514 (CHEMBL3110076) Show SMILES CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(n2)C2(CCC2)NC(C)=O)c(C)c1 |r| Show InChI InChI=1S/C22H31N5O3/c1-5-29-18-7-8-19(15(2)13-18)26-11-12-27(16(3)14-26)21-23-20(30-25-21)22(9-6-10-22)24-17(4)28/h7-8,13,16H,5-6,9-12,14H2,1-4H3,(H,24,28)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	427	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of mouse ACC1				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50446529 (CHEMBL3110080) Show SMILES CCc1nc(no1)N1CCN(C[C@@H]1C)c1ccc(OC)cc1C |r| Show InChI InChI=1S/C17H24N4O2/c1-5-16-18-17(19-23-16)21-9-8-20(11-13(21)3)15-7-6-14(22-4)10-12(15)2/h6-7,10,13H,5,8-9,11H2,1-4H3/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	486	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50446530 (CHEMBL3110079) Show SMILES CCCOc1ccc(N2CCN(C(C2)C(F)(F)F)c2noc(CC)n2)c(C)c1 Show InChI InChI=1S/C19H25F3N4O2/c1-4-10-27-14-6-7-15(13(3)11-14)25-8-9-26(16(12-25)19(20,21)22)18-23-17(5-2)28-24-18/h6-7,11,16H,4-5,8-10,12H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	492	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC1 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4C [1-350] (Homo sapiens (Human))	BDBM195610 (KDM inhibitor, 3) Show SMILES CCc1c(C)[nH]c2c(cnn2c1=O)C#N Show InChI InChI=1S/C10H10N4O/c1-3-8-6(2)13-9-7(4-11)5-12-14(9)10(8)15/h5,13H,3H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	7.5	n/a
Genentech Inc					Assay Description High-throughput MS assays were carried out using truncated KDM4C in 384-well V-bottom polypropylene plates (Greiner, Inc.). His-tagged recombinant KD...				Nat Chem Biol 12: 531-8 (2016) Article DOI: 10.1038/nchembio.2085 BindingDB Entry DOI: 10.7270/Q2CF9NXW
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50446524 (CHEMBL3110085) Show SMILES CCCOc1ccc(N2CCN([C@@H](C)C2)c2noc(CC)n2)c(Cl)c1 |r| Show InChI InChI=1S/C18H25ClN4O2/c1-4-10-24-14-6-7-16(15(19)11-14)22-8-9-23(13(3)12-22)18-20-17(5-2)25-21-18/h6-7,11,13H,4-5,8-10,12H2,1-3H3/t13-/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	688	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC1 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50446516 (CHEMBL3110093) Show SMILES CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(n2)[C@@H](C)NC(C)=O)c(C)c1 |r| Show InChI InChI=1S/C20H29N5O3/c1-6-27-17-7-8-18(13(2)11-17)24-9-10-25(14(3)12-24)20-22-19(28-23-20)15(4)21-16(5)26/h7-8,11,14-15H,6,9-10,12H2,1-5H3,(H,21,26)/t14-,15+/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	724	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC1 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50446526 (CHEMBL3110083) Show SMILES CCc1nc(no1)N1CCN(C[C@@H]1C)c1ccc(Oc2ccccc2)cc1C |r| Show InChI InChI=1S/C22H26N4O2/c1-4-21-23-22(24-28-21)26-13-12-25(15-17(26)3)20-11-10-19(14-16(20)2)27-18-8-6-5-7-9-18/h5-11,14,17H,4,12-13,15H2,1-3H3/t17-/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	789	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50446515 (CHEMBL3110075) Show SMILES CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(n2)C(C)(C)NC(C)=O)c(C)c1 |r| Show InChI InChI=1S/C21H31N5O3/c1-7-28-17-8-9-18(14(2)12-17)25-10-11-26(15(3)13-25)20-22-19(29-24-20)21(5,6)23-16(4)27/h8-9,12,15H,7,10-11,13H2,1-6H3,(H,23,27)/t15-/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	811	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC1 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50446513 (CHEMBL3110094) Show SMILES CCCOc1ccc(cc1)-c1ccc(cc1)-c1noc(CC)n1 Show InChI InChI=1S/C19H20N2O2/c1-3-13-22-17-11-9-15(10-12-17)14-5-7-16(8-6-14)19-20-18(4-2)23-21-19/h5-12H,3-4,13H2,1-2H3	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	841	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis				J Med Chem 56: 10132-41 (2013) Article DOI: 10.1021/jm401601s BindingDB Entry DOI: 10.7270/Q2WW7K5K
					More data for this Ligand-Target Pair

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