Compile Data Set for Download or QSAR

Found 309 hits with Last Name = 'kosmopoulou' and Initial = 'm'   

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 phosphorylase, muscle form (Oryctolagus cuniculus (rabbit))	BDBM50263773 (1-(2-naphthoyl)-3-((2R,3R,4S,5S,6R)-3,4,5-trihydro...) Show SMILES OC[C@H]1O[C@@H](NC(=O)NC(=O)c2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C18H20N2O7/c21-8-12-13(22)14(23)15(24)17(27-12)20-18(26)19-16(25)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15,17,21-24H,8H2,(H2,19,20,25,26)/t12-,13-,14+,15-,17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
University of Debrecen Curated by ChEMBL					Assay Description Inhibition of rabbit muscle glycogen phosphorylase b assessed as inorganic phosphate release at pH 6.8				Bioorg Med Chem 20: 1801-16 (2012) Article DOI: 10.1016/j.bmc.2011.12.059 BindingDB Entry DOI: 10.7270/Q2SN09DD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen phosphorylase, muscle form (Oryctolagus cuniculus (rabbit))	BDBM50295843 (4-methyl-N-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(h...) Show SMILES Cc1ccc(cc1)C(=O)NC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H20N2O7/c1-7-2-4-8(5-3-7)13(22)16-15(23)17-14-12(21)11(20)10(19)9(6-18)24-14/h2-5,9-12,14,18-21H,6H2,1H3,(H2,16,17,22,23)/t9-,10-,11+,12-,14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
University of Debrecen Curated by ChEMBL					Assay Description Inhibition of rabbit muscle glycogen phosphorylase b assessed as inorganic phosphate release at pH 6.8				Bioorg Med Chem 20: 1801-16 (2012) Article DOI: 10.1016/j.bmc.2011.12.059 BindingDB Entry DOI: 10.7270/Q2SN09DD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen phosphorylase, muscle form (Oryctolagus cuniculus (rabbit))	BDBM50263768 ((5S,7R,8S,9S,10R)-8,9,10-Trihydroxy-7-hydroxymethy...) Show SMILES OC[C@H]1O[C@@]2(NC(=O)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C8H12N2O7/c11-1-2-3(12)4(13)5(14)8(17-2)6(15)9-7(16)10-8/h2-5,11-14H,1H2,(H2,9,10,15,16)/t2-,3-,4+,5-,8+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
University of Debrecen Curated by ChEMBL					Assay Description Inhibition of rabbit muscle glycogen phosphorylase b assessed as inorganic phosphate release at pH 6.8				Bioorg Med Chem 20: 1801-16 (2012) Article DOI: 10.1016/j.bmc.2011.12.059 BindingDB Entry DOI: 10.7270/Q2SN09DD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen phosphorylase, muscle form (Oryctolagus cuniculus (rabbit))	BDBM50363878 (CHEMBL1947268) Show SMILES COc1ccc(cc1)C(=O)NC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H20N2O8/c1-24-8-4-2-7(3-5-8)13(22)16-15(23)17-14-12(21)11(20)10(19)9(6-18)25-14/h2-5,9-12,14,18-21H,6H2,1H3,(H2,16,17,22,23)/t9-,10-,11+,12-,14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
University of Debrecen Curated by ChEMBL					Assay Description Inhibition of rabbit muscle glycogen phosphorylase b assessed as inorganic phosphate release at pH 6.8				Bioorg Med Chem 20: 1801-16 (2012) Article DOI: 10.1016/j.bmc.2011.12.059 BindingDB Entry DOI: 10.7270/Q2SN09DD
					More data for this Ligand-Target Pair
Glycogen phosphorylase, muscle form (Oryctolagus cuniculus (rabbit))	BDBM50295844 (4-nitro-N-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hy...) Show SMILES OC[C@H]1O[C@@H](NC(=O)NC(=O)c2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C14H17N3O9/c18-5-8-9(19)10(20)11(21)13(26-8)16-14(23)15-12(22)6-1-3-7(4-2-6)17(24)25/h1-4,8-11,13,18-21H,5H2,(H2,15,16,22,23)/t8-,9-,10+,11-,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
University of Debrecen Curated by ChEMBL					Assay Description Inhibition of rabbit muscle glycogen phosphorylase b assessed as inorganic phosphate release at pH 6.8				Bioorg Med Chem 20: 1801-16 (2012) Article DOI: 10.1016/j.bmc.2011.12.059 BindingDB Entry DOI: 10.7270/Q2SN09DD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen phosphorylase, muscle form (Oryctolagus cuniculus (rabbit))	BDBM50363876 (CHEMBL1232637) Show SMILES OC[C@H]1O[C@@H](NC(=O)NC(=O)c2ccc(cc2)-c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C20H22N2O7/c23-10-14-15(24)16(25)17(26)19(29-14)22-20(28)21-18(27)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14-17,19,23-26H,10H2,(H2,21,22,27,28)/t14-,15-,16+,17-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
University of Debrecen Curated by ChEMBL					Assay Description Inhibition of rabbit muscle glycogen phosphorylase b assessed as inorganic phosphate release at pH 6.8				Bioorg Med Chem 20: 1801-16 (2012) Article DOI: 10.1016/j.bmc.2011.12.059 BindingDB Entry DOI: 10.7270/Q2SN09DD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metallo-beta-lactamase VIM-2 (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM153698 (L-CS319) Show SMILES OC(=O)[C@@H]1CS[C@H]2CS[C@H](CS)N12 |r| Show InChI InChI=1S/C7H11NO2S3/c9-7(10)4-2-12-6-3-13-5(1-11)8(4)6/h4-6,11H,1-3H2,(H,9,10)/t4-,5+,6-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Louis Stokes Cleveland Veterans Affairs Medical Center					Assay Description The Ki for each inhibitor was determined by direct competition assays under steady-state conditions. The initial velocity was measured in the presenc...				Biochemistry 54: 3183-96 (2015) Article DOI: 10.1021/acs.biochem.5b00106 BindingDB Entry DOI: 10.7270/Q2513WZZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metallo-beta-lactamase VIM-2 (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM153700 (L-VC26) Show SMILES CC1(C)S[C@H]2CS[C@H](CS)N2[C@@H]1C(O)=O |r| Show InChI InChI=1S/C9H15NO2S3/c1-9(2)7(8(11)12)10-5(3-13)14-4-6(10)15-9/h5-7,13H,3-4H2,1-2H3,(H,11,12)/t5-,6+,7-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Louis Stokes Cleveland Veterans Affairs Medical Center					Assay Description The Ki for each inhibitor was determined by direct competition assays under steady-state conditions. The initial velocity was measured in the presenc...				Biochemistry 54: 3183-96 (2015) Article DOI: 10.1021/acs.biochem.5b00106 BindingDB Entry DOI: 10.7270/Q2513WZZ
					More data for this Ligand-Target Pair
Glycogen phosphorylase, muscle form (Oryctolagus cuniculus (rabbit))	BDBM50363879 (CHEMBL1947269) Show SMILES COC(=O)c1ccc(cc1)C(=O)NC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H20N2O9/c1-26-15(24)8-4-2-7(3-5-8)13(23)17-16(25)18-14-12(22)11(21)10(20)9(6-19)27-14/h2-5,9-12,14,19-22H,6H2,1H3,(H2,17,18,23,25)/t9-,10-,11+,12-,14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
University of Debrecen Curated by ChEMBL					Assay Description Inhibition of rabbit muscle glycogen phosphorylase b assessed as inorganic phosphate release at pH 6.8				Bioorg Med Chem 20: 1801-16 (2012) Article DOI: 10.1016/j.bmc.2011.12.059 BindingDB Entry DOI: 10.7270/Q2SN09DD
					More data for this Ligand-Target Pair
Glycogen phosphorylase, muscle form (Oryctolagus cuniculus (rabbit))	BDBM50363877 (CHEMBL1232636) Show SMILES OC[C@H]1O[C@@H](NC(=O)NC(=O)c2ccc(Cl)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C14H17ClN2O7/c15-7-3-1-6(2-4-7)12(22)16-14(23)17-13-11(21)10(20)9(19)8(5-18)24-13/h1-4,8-11,13,18-21H,5H2,(H2,16,17,22,23)/t8-,9-,10+,11-,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
University of Debrecen Curated by ChEMBL					Assay Description Inhibition of rabbit muscle glycogen phosphorylase b assessed as inorganic phosphate release at pH 6.8				Bioorg Med Chem 20: 1801-16 (2012) Article DOI: 10.1016/j.bmc.2011.12.059 BindingDB Entry DOI: 10.7270/Q2SN09DD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen phosphorylase, muscle form (Oryctolagus cuniculus (rabbit))	BDBM50263771 (1-benzoyl-3-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(...) Show SMILES OC[C@H]1O[C@@H](NC(=O)NC(=O)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C14H18N2O7/c17-6-8-9(18)10(19)11(20)13(23-8)16-14(22)15-12(21)7-4-2-1-3-5-7/h1-5,8-11,13,17-20H,6H2,(H2,15,16,21,22)/t8-,9-,10+,11-,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
University of Debrecen Curated by ChEMBL					Assay Description Inhibition of rabbit muscle glycogen phosphorylase b assessed as inorganic phosphate release at pH 6.8				Bioorg Med Chem 20: 1801-16 (2012) Article DOI: 10.1016/j.bmc.2011.12.059 BindingDB Entry DOI: 10.7270/Q2SN09DD
					More data for this Ligand-Target Pair				3D Structure (crystal)
VIM-24 (Klebsiella pneumoniae (Enterobacteria))	BDBM153700 (L-VC26) Show SMILES CC1(C)S[C@H]2CS[C@H](CS)N2[C@@H]1C(O)=O |r| Show InChI InChI=1S/C9H15NO2S3/c1-9(2)7(8(11)12)10-5(3-13)14-4-6(10)15-9/h5-7,13H,3-4H2,1-2H3,(H,11,12)/t5-,6+,7-/m1/s1	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Louis Stokes Cleveland Veterans Affairs Medical Center					Assay Description The Ki for each inhibitor was determined by direct competition assays under steady-state conditions. The initial velocity was measured in the presenc...				Biochemistry 54: 3183-96 (2015) Article DOI: 10.1021/acs.biochem.5b00106 BindingDB Entry DOI: 10.7270/Q2513WZZ
					More data for this Ligand-Target Pair
Glycogen phosphorylase, muscle form (Oryctolagus cuniculus (rabbit))	BDBM50263769 ((5S,7R,8S,9S,10R)-8,9,10-Trihydroxy-7-hydroxymethy...) Show SMILES OC[C@H]1O[C@@]2(NC(=S)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C8H12N2O6S/c11-1-2-3(12)4(13)5(14)8(16-2)6(15)9-7(17)10-8/h2-5,11-14H,1H2,(H2,9,10,15,17)/t2-,3-,4+,5-,8+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
University of Debrecen Curated by ChEMBL					Assay Description Inhibition of rabbit muscle glycogen phosphorylase b assessed as inorganic phosphate release at pH 6.8				Bioorg Med Chem 20: 1801-16 (2012) Article DOI: 10.1016/j.bmc.2011.12.059 BindingDB Entry DOI: 10.7270/Q2SN09DD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metallo-beta-lactamase VIM-2 (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM153699 (D-CS319) Show SMILES OC(=O)[C@H]1CS[C@@H]2CS[C@@H](CS)N12 |r| Show InChI InChI=1S/C7H11NO2S3/c9-7(10)4-2-12-6-3-13-5(1-11)8(4)6/h4-6,11H,1-3H2,(H,9,10)/t4-,5+,6-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Louis Stokes Cleveland Veterans Affairs Medical Center					Assay Description The Ki for each inhibitor was determined by direct competition assays under steady-state conditions. The initial velocity was measured in the presenc...				Biochemistry 54: 3183-96 (2015) Article DOI: 10.1021/acs.biochem.5b00106 BindingDB Entry DOI: 10.7270/Q2513WZZ
					More data for this Ligand-Target Pair
VIM-24 (Klebsiella pneumoniae (Enterobacteria))	BDBM153698 (L-CS319) Show SMILES OC(=O)[C@@H]1CS[C@H]2CS[C@H](CS)N12 |r| Show InChI InChI=1S/C7H11NO2S3/c9-7(10)4-2-12-6-3-13-5(1-11)8(4)6/h4-6,11H,1-3H2,(H,9,10)/t4-,5+,6-/m0/s1	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Louis Stokes Cleveland Veterans Affairs Medical Center					Assay Description The Ki for each inhibitor was determined by direct competition assays under steady-state conditions. The initial velocity was measured in the presenc...				Biochemistry 54: 3183-96 (2015) Article DOI: 10.1021/acs.biochem.5b00106 BindingDB Entry DOI: 10.7270/Q2513WZZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen phosphorylase, muscle form (Oryctolagus cuniculus (rabbit))	BDBM50295845 (4-amino-N-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hy...) Show SMILES Nc1ccc(cc1)C(=O)NC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H19N3O7/c15-7-3-1-6(2-4-7)12(22)16-14(23)17-13-11(21)10(20)9(19)8(5-18)24-13/h1-4,8-11,13,18-21H,5,15H2,(H2,16,17,22,23)/t8-,9-,10+,11-,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
University of Debrecen Curated by ChEMBL					Assay Description Inhibition of rabbit muscle glycogen phosphorylase b assessed as inorganic phosphate release at pH 6.8				Bioorg Med Chem 20: 1801-16 (2012) Article DOI: 10.1016/j.bmc.2011.12.059 BindingDB Entry DOI: 10.7270/Q2SN09DD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen phosphorylase, muscle form (Oryctolagus cuniculus (rabbit))	BDBM50295846 (4-hydroxy-N-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(...) Show SMILES OC[C@H]1O[C@@H](NC(=O)NC(=O)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C14H18N2O8/c17-5-8-9(19)10(20)11(21)13(24-8)16-14(23)15-12(22)6-1-3-7(18)4-2-6/h1-4,8-11,13,17-21H,5H2,(H2,15,16,22,23)/t8-,9-,10+,11-,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
University of Debrecen Curated by ChEMBL					Assay Description Inhibition of rabbit muscle glycogen phosphorylase b assessed as inorganic phosphate release at pH 6.8				Bioorg Med Chem 20: 1801-16 (2012) Article DOI: 10.1016/j.bmc.2011.12.059 BindingDB Entry DOI: 10.7270/Q2SN09DD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen phosphorylase, muscle form (Oryctolagus cuniculus (rabbit))	BDBM50263723 (CHEMBL488967 | N-((2R,3R,4S,5S,6R)-3,4,5-trihydrox...) Show SMILES OC[C@H]1O[C@@H](NC(=O)c2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C17H19NO6/c19-8-12-13(20)14(21)15(22)17(24-12)18-16(23)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15,17,19-22H,8H2,(H,18,23)/t12-,13-,14+,15-,17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
University of Debrecen Curated by ChEMBL					Assay Description Inhibition of rabbit muscle glycogen phosphorylase b assessed as inorganic phosphate release at pH 6.8				Bioorg Med Chem 20: 1801-16 (2012) Article DOI: 10.1016/j.bmc.2011.12.059 BindingDB Entry DOI: 10.7270/Q2SN09DD
					More data for this Ligand-Target Pair				3D Structure (docked)
VIM-24 (Klebsiella pneumoniae (Enterobacteria))	BDBM153699 (D-CS319) Show SMILES OC(=O)[C@H]1CS[C@@H]2CS[C@@H](CS)N12 |r| Show InChI InChI=1S/C7H11NO2S3/c9-7(10)4-2-12-6-3-13-5(1-11)8(4)6/h4-6,11H,1-3H2,(H,9,10)/t4-,5+,6-/m1/s1	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Louis Stokes Cleveland Veterans Affairs Medical Center					Assay Description The Ki for each inhibitor was determined by direct competition assays under steady-state conditions. The initial velocity was measured in the presenc...				Biochemistry 54: 3183-96 (2015) Article DOI: 10.1021/acs.biochem.5b00106 BindingDB Entry DOI: 10.7270/Q2513WZZ
					More data for this Ligand-Target Pair
VIM-24 (Klebsiella pneumoniae (Enterobacteria))	BDBM153701 (D-VC26) Show SMILES CC1(C)S[C@@H]2CS[C@@H](CS)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C9H15NO2S3/c1-9(2)7(8(11)12)10-5(3-13)14-4-6(10)15-9/h5-7,13H,3-4H2,1-2H3,(H,11,12)/t5-,6+,7-/m0/s1	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Louis Stokes Cleveland Veterans Affairs Medical Center					Assay Description The Ki for each inhibitor was determined by direct competition assays under steady-state conditions. The initial velocity was measured in the presenc...				Biochemistry 54: 3183-96 (2015) Article DOI: 10.1021/acs.biochem.5b00106 BindingDB Entry DOI: 10.7270/Q2513WZZ
					More data for this Ligand-Target Pair
Metallo-beta-lactamase VIM-2 (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM153701 (D-VC26) Show SMILES CC1(C)S[C@@H]2CS[C@@H](CS)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C9H15NO2S3/c1-9(2)7(8(11)12)10-5(3-13)14-4-6(10)15-9/h5-7,13H,3-4H2,1-2H3,(H,11,12)/t5-,6+,7-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Louis Stokes Cleveland Veterans Affairs Medical Center					Assay Description The Ki for each inhibitor was determined by direct competition assays under steady-state conditions. The initial velocity was measured in the presenc...				Biochemistry 54: 3183-96 (2015) Article DOI: 10.1021/acs.biochem.5b00106 BindingDB Entry DOI: 10.7270/Q2513WZZ
					More data for this Ligand-Target Pair
Glycogen phosphorylase, muscle form (Oryctolagus cuniculus (rabbit))	BDBM50363872 (CHEMBL1946930) Show SMILES OC[C@H]1O[C@@H](NC(=O)CCC(O)=O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C10H17NO8/c12-3-4-7(16)8(17)9(18)10(19-4)11-5(13)1-2-6(14)15/h4,7-10,12,16-18H,1-3H2,(H,11,13)(H,14,15)/t4-,7-,8+,9-,10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
University of Debrecen Curated by ChEMBL					Assay Description Inhibition of rabbit muscle glycogen phosphorylase b assessed as inorganic phosphate release at pH 6.8				Bioorg Med Chem 20: 1801-16 (2012) Article DOI: 10.1016/j.bmc.2011.12.059 BindingDB Entry DOI: 10.7270/Q2SN09DD
					More data for this Ligand-Target Pair
Glycogen phosphorylase, muscle form (Oryctolagus cuniculus (rabbit))	BDBM50240802 (1-N-ACETYL-BETA-D-GLUCOSAMINE | CHEMBL335315 | N-(...) Show SMILES CC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C8H15NO6/c1-3(11)9-8-7(14)6(13)5(12)4(2-10)15-8/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
University of Debrecen Curated by ChEMBL					Assay Description Inhibition of rabbit muscle glycogen phosphorylase b assessed as inorganic phosphate release at pH 6.8				Bioorg Med Chem 20: 1801-16 (2012) Article DOI: 10.1016/j.bmc.2011.12.059 BindingDB Entry DOI: 10.7270/Q2SN09DD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen phosphorylase, muscle form (Oryctolagus cuniculus (rabbit))	BDBM50363871 (CHEMBL1232255) Show SMILES OC[C@H]1O[C@@H](NC(=O)CN=[N+]=[N-])[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C8H14N4O6/c9-12-10-1-4(14)11-8-7(17)6(16)5(15)3(2-13)18-8/h3,5-8,13,15-17H,1-2H2,(H,11,14)/t3-,5-,6+,7-,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
University of Debrecen Curated by ChEMBL					Assay Description Inhibition of rabbit muscle glycogen phosphorylase b assessed as inorganic phosphate release at pH 6.8				Bioorg Med Chem 20: 1801-16 (2012) Article DOI: 10.1016/j.bmc.2011.12.059 BindingDB Entry DOI: 10.7270/Q2SN09DD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen phosphorylase, muscle form (Oryctolagus cuniculus (rabbit))	BDBM50363869 (CHEMBL1234850) Show SMILES OC[C@H]1O[C@@H](NC(=O)C(F)(F)F)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C8H12F3NO6/c9-8(10,11)7(17)12-6-5(16)4(15)3(14)2(1-13)18-6/h2-6,13-16H,1H2,(H,12,17)/t2-,3-,4+,5-,6-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
University of Debrecen Curated by ChEMBL					Assay Description Inhibition of rabbit muscle glycogen phosphorylase b assessed as inorganic phosphate release at pH 6.8				Bioorg Med Chem 20: 1801-16 (2012) Article DOI: 10.1016/j.bmc.2011.12.059 BindingDB Entry DOI: 10.7270/Q2SN09DD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen phosphorylase, muscle form (Oryctolagus cuniculus (rabbit))	BDBM50240801 (CHEMBL131967 | N-((2R,3R,4S,5S,6R)-3,4,5-trihydrox...) Show SMILES OC[C@H]1O[C@@H](NC(=O)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C13H17NO6/c15-6-8-9(16)10(17)11(18)13(20-8)14-12(19)7-4-2-1-3-5-7/h1-5,8-11,13,15-18H,6H2,(H,14,19)/t8-,9-,10+,11-,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	8.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
University of Debrecen Curated by ChEMBL					Assay Description Inhibition of rabbit muscle glycogen phosphorylase b assessed as inorganic phosphate release at pH 6.8				Bioorg Med Chem 20: 1801-16 (2012) Article DOI: 10.1016/j.bmc.2011.12.059 BindingDB Entry DOI: 10.7270/Q2SN09DD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen phosphorylase, muscle form (Oryctolagus cuniculus (rabbit))	BDBM50363881 (CHEMBL1947271) Show SMILES OC[C@H]1O[C@@H](NC(=O)NC(=O)c2ccc(cc2)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C15H18N2O9/c18-5-8-9(19)10(20)11(21)13(26-8)17-15(25)16-12(22)6-1-3-7(4-2-6)14(23)24/h1-4,8-11,13,18-21H,5H2,(H,23,24)(H2,16,17,22,25)/t8-,9-,10+,11-,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
University of Debrecen Curated by ChEMBL					Assay Description Inhibition of rabbit muscle glycogen phosphorylase b assessed as inorganic phosphate release at pH 6.8				Bioorg Med Chem 20: 1801-16 (2012) Article DOI: 10.1016/j.bmc.2011.12.059 BindingDB Entry DOI: 10.7270/Q2SN09DD
					More data for this Ligand-Target Pair
Glycogen phosphorylase, muscle form (Oryctolagus cuniculus (rabbit))	BDBM50363875 (CHEMBL595439) Show SMILES OC[C@H]1O[C@]2(NC(=O)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C8H12N2O7/c11-1-2-3(12)4(13)5(14)8(17-2)6(15)9-7(16)10-8/h2-5,11-14H,1H2,(H2,9,10,15,16)/t2-,3-,4+,5-,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid UniChem Similars	DrugBank Article PubMed	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
University of Debrecen Curated by ChEMBL					Assay Description Inhibition of rabbit muscle glycogen phosphorylase b assessed as inorganic phosphate release at pH 6.8				Bioorg Med Chem 20: 1801-16 (2012) Article DOI: 10.1016/j.bmc.2011.12.059 BindingDB Entry DOI: 10.7270/Q2SN09DD
					More data for this Ligand-Target Pair
Glycogen phosphorylase, muscle form (Oryctolagus cuniculus (rabbit))	BDBM50363870 (CHEMBL132020) Show SMILES NC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O Show InChI InChI=1S/C7H14N2O6/c8-7(14)9-6-5(13)4(12)3(11)2(1-10)15-6/h2-6,10-13H,1H2,(H3,8,9,14)/t2-,3-,4+,5-,6-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
University of Debrecen Curated by ChEMBL					Assay Description Inhibition of rabbit muscle glycogen phosphorylase b assessed as inorganic phosphate release at pH 6.8				Bioorg Med Chem 20: 1801-16 (2012) Article DOI: 10.1016/j.bmc.2011.12.059 BindingDB Entry DOI: 10.7270/Q2SN09DD
					More data for this Ligand-Target Pair
Glycogen phosphorylase, muscle form (Oryctolagus cuniculus (rabbit))	BDBM50363880 (CHEMBL1947270) Show SMILES OC[C@H]1O[C@@H](NC(=O)NC(=O)c2ccc(cc2)C(=O)OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C22H24N2O9/c25-10-15-16(26)17(27)18(28)20(33-15)24-22(31)23-19(29)13-6-8-14(9-7-13)21(30)32-11-12-4-2-1-3-5-12/h1-9,15-18,20,25-28H,10-11H2,(H2,23,24,29,31)/t15-,16-,17+,18-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
University of Debrecen Curated by ChEMBL					Assay Description Inhibition of rabbit muscle glycogen phosphorylase b assessed as inorganic phosphate release at pH 6.8				Bioorg Med Chem 20: 1801-16 (2012) Article DOI: 10.1016/j.bmc.2011.12.059 BindingDB Entry DOI: 10.7270/Q2SN09DD
					More data for this Ligand-Target Pair
Glycogen phosphorylase, muscle form (Oryctolagus cuniculus (rabbit))	BDBM50363873 (CHEMBL134529) Show SMILES COC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C8H15NO7/c1-15-8(14)9-7-6(13)5(12)4(11)3(2-10)16-7/h3-7,10-13H,2H2,1H3,(H,9,14)/t3-,4-,5+,6-,7-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	2.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
University of Debrecen Curated by ChEMBL					Assay Description Inhibition of rabbit muscle glycogen phosphorylase b assessed as inorganic phosphate release at pH 6.8				Bioorg Med Chem 20: 1801-16 (2012) Article DOI: 10.1016/j.bmc.2011.12.059 BindingDB Entry DOI: 10.7270/Q2SN09DD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen phosphorylase, muscle form (Oryctolagus cuniculus (rabbit))	BDBM50263770 (1-acetyl-3-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(h...) Show SMILES CC(=O)NC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C9H16N2O7/c1-3(13)10-9(17)11-8-7(16)6(15)5(14)4(2-12)18-8/h4-8,12,14-16H,2H2,1H3,(H2,10,11,13,17)/t4-,5-,6+,7-,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	3.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
University of Debrecen Curated by ChEMBL					Assay Description Inhibition of rabbit muscle glycogen phosphorylase b assessed as inorganic phosphate release at pH 6.8				Bioorg Med Chem 20: 1801-16 (2012) Article DOI: 10.1016/j.bmc.2011.12.059 BindingDB Entry DOI: 10.7270/Q2SN09DD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen phosphorylase, muscle form (Oryctolagus cuniculus (rabbit))	BDBM50363874 (CHEMBL1233057) Show SMILES COP(=O)(N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC |r| Show InChI InChI=1S/C8H18NO8P/c1-15-18(14,16-2)9-8-7(13)6(12)5(11)4(3-10)17-8/h4-8,10-13H,3H2,1-2H3,(H,9,14)/t4-,5-,6+,7-,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	5.90E+6	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
University of Debrecen Curated by ChEMBL					Assay Description Inhibition of rabbit muscle glycogen phosphorylase b assessed as inorganic phosphate release at pH 6.8				Bioorg Med Chem 20: 1801-16 (2012) Article DOI: 10.1016/j.bmc.2011.12.059 BindingDB Entry DOI: 10.7270/Q2SN09DD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase B (Homo sapiens (Human))	BDBM50443493 (CHEMBL3087777) Show SMILES CC(=O)N[C@@H]1CCN(C1)c1c(Cl)cnc2nc([nH]c12)-c1cn(C)nc1C |r| Show InChI InChI=1S/C17H20ClN7O/c1-9-12(8-24(3)23-9)16-21-14-15(13(18)6-19-17(14)22-16)25-5-4-11(7-25)20-10(2)26/h6,8,11H,4-5,7H2,1-3H3,(H,20,26)(H,19,21,22)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full-length aurora-B (unknown origin) using 5FAMLRRASLG-CONH2 as substrate after 60 mins				J Med Chem 56: 9122-35 (2013) Article DOI: 10.1021/jm401115g BindingDB Entry DOI: 10.7270/Q2R78GPN
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50318595 (6-Bromo-7-[4-(5-methyl-isoxazol-3-ylmethyl)-pipera...) Show SMILES Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2ccc(CN3CCOCC3)cc2)no1 Show InChI InChI=1S/C26H30BrN7O2/c1-18-14-21(31-36-18)17-32-6-8-34(9-7-32)24-22(27)15-28-26-23(24)29-25(30-26)20-4-2-19(3-5-20)16-33-10-12-35-13-11-33/h2-5,14-15H,6-13,16-17H2,1H3,(H,28,29,30)	PDB MMDB NCI pathway 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	2	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human recombinant Aurora A expressed in baculovirus system				J Med Chem 53: 5213-28 (2010) Article DOI: 10.1021/jm100262j BindingDB Entry DOI: 10.7270/Q2GB251P
					More data for this Ligand-Target Pair				3D Structure (docked)
Aurora kinase A (Homo sapiens (Human))	BDBM50318610 (6-Bromo-7-[4-(5-methyl-isoxazol-3-ylmethyl)-pipera...) Show SMILES Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)N2CCN(Cn3cccn3)CC2)no1 Show InChI InChI=1S/C23H29BrN10O/c1-17-13-18(29-35-17)15-30-5-9-32(10-6-30)21-19(24)14-25-22-20(21)27-23(28-22)33-11-7-31(8-12-33)16-34-4-2-3-26-34/h2-4,13-14H,5-12,15-16H2,1H3,(H,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human recombinant Aurora A expressed in baculovirus system				J Med Chem 53: 5213-28 (2010) Article DOI: 10.1021/jm100262j BindingDB Entry DOI: 10.7270/Q2GB251P
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50318575 (2-{4-[6-Chloro-2-(4-morpholin-4-ylmethylphenyl)-3H...) Show SMILES Clc1cnc2nc([nH]c2c1N1CCN(CC(=O)Nc2nccs2)CC1)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C26H29ClN8O2S/c27-20-15-29-25-22(23(20)35-8-6-33(7-9-35)17-21(36)30-26-28-5-14-38-26)31-24(32-25)19-3-1-18(2-4-19)16-34-10-12-37-13-11-34/h1-5,14-15H,6-13,16-17H2,(H,28,30,36)(H,29,31,32)	PDB MMDB NCI pathway 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	3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human recombinant Aurora A expressed in baculovirus system				J Med Chem 53: 5213-28 (2010) Article DOI: 10.1021/jm100262j BindingDB Entry DOI: 10.7270/Q2GB251P
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50443493 (CHEMBL3087777) Show SMILES CC(=O)N[C@@H]1CCN(C1)c1c(Cl)cnc2nc([nH]c12)-c1cn(C)nc1C |r| Show InChI InChI=1S/C17H20ClN7O/c1-9-12(8-24(3)23-9)16-21-14-15(13(18)6-19-17(14)22-16)25-5-4-11(7-25)20-10(2)26/h6,8,11H,4-5,7H2,1-3H3,(H,20,26)(H,19,21,22)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of N-terminal HIS-tagged aurora-A (unknown origin) using 5FAM-LRRASLG-CONH2 as substrate after 60 mins				J Med Chem 56: 9122-35 (2013) Article DOI: 10.1021/jm401115g BindingDB Entry DOI: 10.7270/Q2R78GPN
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50318601 (4-((4-(6-Bromo-2-(4-methoxyphenyl)-3H-imidazo[4,5-...) Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4cscn4)CC3)c2[nH]1 Show InChI InChI=1S/C21H21BrN6OS/c1-29-16-4-2-14(3-5-16)20-25-18-19(17(22)10-23-21(18)26-20)28-8-6-27(7-9-28)11-15-12-30-13-24-15/h2-5,10,12-13H,6-9,11H2,1H3,(H,23,25,26)	PDB MMDB NCI pathway 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	4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human recombinant Aurora A expressed in baculovirus system				J Med Chem 53: 5213-28 (2010) Article DOI: 10.1021/jm100262j BindingDB Entry DOI: 10.7270/Q2GB251P
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50401448 (CHEMBL2203764) Show SMILES Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2cn(C)nc2C2CC2)no1 Show InChI InChI=1S/C22H25ClN8O/c1-13-9-15(28-32-13)11-30-5-7-31(8-6-30)20-17(23)10-24-22-19(20)25-21(26-22)16-12-29(2)27-18(16)14-3-4-14/h9-10,12,14H,3-8,11H2,1-2H3,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to Aurora A kinase				J Med Chem 55: 8721-34 (2012) Article DOI: 10.1021/jm300952s BindingDB Entry DOI: 10.7270/Q22J6D2W
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50443510 (CHEMBL3087779) Show SMILES Cc1nn(C)cc1-c1nc2ncc(Cl)c(N3CCC[C@H](CNS(C)(=O)=O)C3)c2[nH]1 |r| Show InChI InChI=1S/C18H24ClN7O2S/c1-11-13(10-25(2)24-11)17-22-15-16(14(19)8-20-18(15)23-17)26-6-4-5-12(9-26)7-21-29(3,27)28/h8,10,12,21H,4-7,9H2,1-3H3,(H,20,22,23)/t12-/m1/s1	PDB MMDB NCI pathway 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	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of N-terminal HIS-tagged aurora-A (unknown origin) using 5FAM-LRRASLG-CONH2 as substrate after 60 mins				J Med Chem 56: 9122-35 (2013) Article DOI: 10.1021/jm401115g BindingDB Entry DOI: 10.7270/Q2R78GPN
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50443508 (CHEMBL3087781) Show SMILES CN(C[C@H]1CCCN(C1)c1c(Cl)cnc2nc([nH]c12)-c1cn(C)nc1C)S(C)(=O)=O |r| Show InChI InChI=1S/C19H26ClN7O2S/c1-12-14(11-25(2)24-12)18-22-16-17(15(20)8-21-19(16)23-18)27-7-5-6-13(10-27)9-26(3)30(4,28)29/h8,11,13H,5-7,9-10H2,1-4H3,(H,21,22,23)/t13-/m1/s1	PDB MMDB NCI pathway 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	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of N-terminal HIS-tagged aurora-A (unknown origin) using 5FAM-LRRASLG-CONH2 as substrate after 60 mins				J Med Chem 56: 9122-35 (2013) Article DOI: 10.1021/jm401115g BindingDB Entry DOI: 10.7270/Q2R78GPN
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50318588 (6-Bromo-2-(4-morpholin-4-ylmethyl-phenyl)-7-(4-pyr...) Show SMILES Brc1cnc2nc([nH]c2c1N1CCN(Cc2cccnc2)CC1)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C27H30BrN7O/c28-23-17-30-27-24(25(23)35-10-8-33(9-11-35)19-21-2-1-7-29-16-21)31-26(32-27)22-5-3-20(4-6-22)18-34-12-14-36-15-13-34/h1-7,16-17H,8-15,18-19H2,(H,30,31,32)	PDB MMDB NCI pathway 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	5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human recombinant Aurora A expressed in baculovirus system				J Med Chem 53: 5213-28 (2010) Article DOI: 10.1021/jm100262j BindingDB Entry DOI: 10.7270/Q2GB251P
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50318602 (4-(4-(6-Bromo-7-(4-(thiazol-4-ylmethyl)piperazin-1...) Show SMILES Brc1cnc2nc([nH]c2c1N1CCN(Cc2cscn2)CC1)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C25H28BrN7OS/c26-21-13-27-25-22(23(21)33-7-5-31(6-8-33)15-20-16-35-17-28-20)29-24(30-25)19-3-1-18(2-4-19)14-32-9-11-34-12-10-32/h1-4,13,16-17H,5-12,14-15H2,(H,27,29,30)	PDB MMDB NCI pathway 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	6	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human recombinant Aurora A expressed in baculovirus system				J Med Chem 53: 5213-28 (2010) Article DOI: 10.1021/jm100262j BindingDB Entry DOI: 10.7270/Q2GB251P
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50318590 (4-(4-(6-Bromo-7-(4-(pyrimidin-5-ylmethyl)piperazin...) Show SMILES Brc1cnc2nc([nH]c2c1N1CCN(Cc2cncnc2)CC1)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C26H29BrN8O/c27-22-15-30-26-23(24(22)35-7-5-33(6-8-35)17-20-13-28-18-29-14-20)31-25(32-26)21-3-1-19(2-4-21)16-34-9-11-36-12-10-34/h1-4,13-15,18H,5-12,16-17H2,(H,30,31,32)	PDB MMDB NCI pathway 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	6	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human recombinant Aurora A expressed in baculovirus system				J Med Chem 53: 5213-28 (2010) Article DOI: 10.1021/jm100262j BindingDB Entry DOI: 10.7270/Q2GB251P
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50401447 (CHEMBL2203767) Show SMILES CCN1CCN(CC1)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1 Show InChI InChI=1S/C27H33ClN8O/c1-3-33-8-12-35(13-9-33)22-6-4-20(5-7-22)26-30-24-25(23(28)17-29-27(24)31-26)36-14-10-34(11-15-36)18-21-16-19(2)37-32-21/h4-7,16-17H,3,8-15,18H2,1-2H3,(H,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to Aurora A kinase				J Med Chem 55: 8721-34 (2012) Article DOI: 10.1021/jm300952s BindingDB Entry DOI: 10.7270/Q22J6D2W
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50401446 (CHEMBL2207499) Show SMILES Cc1nonc1CN1CCN(CC1)c1c(Cl)cnc2nc([nH]c12)-c1cn(C)nc1C Show InChI InChI=1S/C19H22ClN9O/c1-11-13(9-27(3)24-11)18-22-16-17(14(20)8-21-19(16)23-18)29-6-4-28(5-7-29)10-15-12(2)25-30-26-15/h8-9H,4-7,10H2,1-3H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to Aurora A kinase				J Med Chem 55: 8721-34 (2012) Article DOI: 10.1021/jm300952s BindingDB Entry DOI: 10.7270/Q22J6D2W
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50443492 (CHEMBL3087778) Show SMILES CC(=O)NC[C@@H]1CCN(C1)c1c(Cl)cnc2nc([nH]c12)-c1cn(C)nc1C |r| Show InChI InChI=1S/C18H22ClN7O/c1-10-13(9-25(3)24-10)17-22-15-16(14(19)7-21-18(15)23-17)26-5-4-12(8-26)6-20-11(2)27/h7,9,12H,4-6,8H2,1-3H3,(H,20,27)(H,21,22,23)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full-length aurora-B (unknown origin) using 5FAMLRRASLG-CONH2 as substrate after 60 mins				J Med Chem 56: 9122-35 (2013) Article DOI: 10.1021/jm401115g BindingDB Entry DOI: 10.7270/Q2R78GPN
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50401445 (CHEMBL2203765) Show SMILES Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2ccc(cc2)N2CCOCC2)no1 Show InChI InChI=1S/C25H28BrN7O2/c1-17-14-19(30-35-17)16-31-6-8-33(9-7-31)23-21(26)15-27-25-22(23)28-24(29-25)18-2-4-20(5-3-18)32-10-12-34-13-11-32/h2-5,14-15H,6-13,16H2,1H3,(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to Aurora A kinase				J Med Chem 55: 8721-34 (2012) Article DOI: 10.1021/jm300952s BindingDB Entry DOI: 10.7270/Q22J6D2W
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50443509 (CHEMBL3087780) Show SMILES Cc1nn(C)cc1-c1nc2ncc(Cl)c(N3CCC[C@@H](CNS(C)(=O)=O)C3)c2[nH]1 |r| Show InChI InChI=1S/C18H24ClN7O2S/c1-11-13(10-25(2)24-11)17-22-15-16(14(19)8-20-18(15)23-17)26-6-4-5-12(9-26)7-21-29(3,27)28/h8,10,12,21H,4-7,9H2,1-3H3,(H,20,22,23)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of N-terminal HIS-tagged aurora-A (unknown origin) using 5FAM-LRRASLG-CONH2 as substrate after 60 mins				J Med Chem 56: 9122-35 (2013) Article DOI: 10.1021/jm401115g BindingDB Entry DOI: 10.7270/Q2R78GPN
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 309 total )  |  Next  |  Last  >>

Jump to: