Compile Data Set for Download or QSAR

Found 199 hits with Last Name = 'roe' and Initial = 'sm'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Glycogen synthase kinase-3 beta (Porcine)	BDBM7425 ((2 Z,3 E)-5,6-Dichloroindirubin-3 -acetoxime | 6,5...) Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(Cl)c(Cl)cc12 |w:6.5,4.3| Show InChI InChI=1S/C18H11Cl2N3O3/c1-8(24)26-23-16-9-4-2-3-5-13(9)21-17(16)15-10-6-11(19)12(20)7-14(10)22-18(15)25/h2-7,21H,1H3,(H,22,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Porcine)	BDBM7424 ((2 Z,3 E)-5,6-Dichloroindirubin-3 -oxime | 5,6-dic...) Show SMILES Clc1cc2NC(=O)C(c2cc1Cl)c1[nH]c2ccccc2c1N=O Show InChI InChI=1S/C16H9Cl2N3O2/c17-9-5-8-12(6-10(9)18)20-16(22)13(8)15-14(21-23)7-3-1-2-4-11(7)19-15/h1-6,13,19H,(H,20,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Porcine)	BDBM7401 ((2 Z,3 E)-6-Bromoindirubin-3 -oxime | (3E)-6-bromo...) Show SMILES Brc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,13,18H,(H,19,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Porcine)	BDBM7428 ((2 Z,3 E)-6-Bromo-5-nitroindirubin-3 -acetoxime | ...) Show SMILES CC(=O)[O+]=Nc1c([nH]c2ccccc12)-[c-]1c2cc(c(Br)cc2[nH]c1=O)[N+]([O-])=O |w:4.4,(-3.35,9.35,;-2.26,8.26,;-.77,8.66,;-2.66,6.77,;-1.57,5.69,;-2.04,4.22,;-1.14,2.98,;-2.04,1.73,;-3.51,2.2,;-4.84,1.43,;-6.18,2.2,;-6.18,3.75,;-4.84,4.52,;-3.51,3.75,;.4,2.98,;1.44,4.11,;1.3,5.64,;2.56,6.53,;3.96,5.89,;5.21,6.78,;4.1,4.36,;2.84,3.47,;2.67,1.94,;1.16,1.63,;.51,.23,;2.41,8.07,;.96,8.59,;3.5,9.15,)| Show InChI InChI=1S/C18H11BrN4O5/c1-8(24)28-22-16-9-4-2-3-5-12(9)20-17(16)15-10-6-14(23(26)27)11(19)7-13(10)21-18(15)25/h2-7,20H,1H3,(H,21,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Porcine)	BDBM7421 ((2 Z,3 E)-6-Bromo-5-methylindirubin-3 -oxime | 6-b...) Show SMILES Cc1cc2C(C(=O)Nc2cc1Br)c1[nH]c2ccccc2c1N=O Show InChI InChI=1S/C17H12BrN3O2/c1-8-6-10-13(7-11(8)18)20-17(22)14(10)16-15(21-23)9-4-2-3-5-12(9)19-16/h2-7,14,19H,1H3,(H,20,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Porcine)	BDBM7427 ((2 Z,3 E)-6-Bromo-5-nitroindirubin-3 -oxime | 6-Br...) Show SMILES [O-][N+](=O)c1cc2[c-](-c3[nH]c4ccccc4c3N=[OH+])c(=O)[nH]c2cc1Br |(.96,8.59,;2.41,8.07,;3.5,9.15,;2.56,6.53,;1.3,5.64,;1.44,4.11,;.4,2.98,;-1.14,2.98,;-2.04,1.73,;-3.51,2.2,;-4.84,1.43,;-6.18,2.2,;-6.18,3.75,;-4.84,4.52,;-3.51,3.75,;-2.04,4.22,;-1.57,5.69,;-2.66,6.77,;1.16,1.63,;.51,.23,;2.67,1.94,;2.84,3.47,;4.1,4.36,;3.96,5.89,;5.21,6.78,)| Show InChI InChI=1S/C16H8BrN4O4/c17-9-6-11-8(5-12(9)21(24)25)13(16(22)19-11)15-14(20-23)7-3-1-2-4-10(7)18-15/h1-6,18H,(H,19,22)/q-1/p+1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Porcine)	BDBM7422 ((2 Z,3 E)-6-Bromo-5-methylindirubin-3 -acetoxime |...) Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(Br)c(C)cc12 |w:6.5,4.3| Show InChI InChI=1S/C19H14BrN3O3/c1-9-7-12-15(8-13(9)20)22-19(25)16(12)18-17(23-26-10(2)24)11-5-3-4-6-14(11)21-18/h3-8,21H,1-2H3,(H,22,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Porcine)	BDBM7402 ((2 Z,3 E)-6-Bromoindirubin-3 -acetoxime | 6-bromoi...) Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(Br)ccc12 |w:6.5,4.3| Show InChI InChI=1S/C18H12BrN3O3/c1-9(23)25-22-16-12-4-2-3-5-13(12)20-17(16)15-11-7-6-10(19)8-14(11)21-18(15)24/h2-8,20H,1H3,(H,21,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Porcine)	BDBM7410 ((2 Z,3 E)-6-Iodoindirubin-3 -oxime | 3-[(2Z,3E)-3-...) Show SMILES Ic1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O Show InChI InChI=1S/C16H10IN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,13,18H,(H,19,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Porcine)	BDBM7411 ((2 Z,3 E)-6-Iodoindirubin-3 -acetoxime | 6-iodoind...) Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(I)ccc12 |w:6.5,4.3| Show InChI InChI=1S/C18H12IN3O3/c1-9(23)25-22-16-12-4-2-3-5-13(12)20-17(16)15-11-7-6-10(19)8-14(11)21-18(15)24/h2-8,20H,1H3,(H,21,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Porcine)	BDBM7408 ((2 Z,3 E)-6-Chloroindirubin-3 -acetoxime | 6-chlor...) Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(Cl)ccc12 |w:6.5,4.3| Show InChI InChI=1S/C18H12ClN3O3/c1-9(23)25-22-16-12-4-2-3-5-13(12)20-17(16)15-11-7-6-10(19)8-14(11)21-18(15)24/h2-8,20H,1H3,(H,21,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Porcine)	BDBM7407 ((2 Z,3 E)-6-Chloroindirubin-3 -oxime | 6-chloro-3-...) Show SMILES Clc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O Show InChI InChI=1S/C16H10ClN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,13,18H,(H,19,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Porcine)	BDBM7393 (3-[(2Z,3E)-3-(hydroxyimino)-2,3-dihydro-1H-indol-2...) Show SMILES O=Nc1c([nH]c2ccccc12)C1C(=O)Nc2ccccc12 Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,13,17H,(H,18,20)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Porcine)	BDBM7420 ((2 Z)-6-Bromo-5-methylindirubin | 6-bromo-5-methyl...) Show SMILES Cc1cc2\C(C(=O)Nc2cc1Br)=C1\Nc2ccccc2C1=O Show InChI InChI=1S/C17H11BrN2O2/c1-8-6-10-13(7-11(8)18)20-17(22)14(10)15-16(21)9-4-2-3-5-12(9)19-15/h2-7,19H,1H3,(H,20,22)/b15-14-	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Porcine)	BDBM7403 ((2 Z,3 E)-6-Bromoindirubin-3 -methoxime | 6-bromo-...) Show SMILES CO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12 Show InChI InChI=1S/C17H12BrN3O2/c1-23-21-15-11-4-2-3-5-12(11)19-16(15)14-10-7-6-9(18)8-13(10)20-17(14)22/h2-8,19H,1H3,(H,20,22)/b16-14-,21-15+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM15361 ((1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-me...) Show SMILES [H][C@@]12C[C@@H](C)OC(=O)c3c(O)cc(O)c(Cl)c3CC(=O)C=CC=C[C@@]1([H])O2 |r,w:22.22,20.20| Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/t9-,14-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Porcine)	BDBM7423 ((2 Z)-5,6-Dichloroindirubin | 5,6-dichloro-3-[(2Z)...) Show SMILES Clc1cc2NC(=O)\C(=C3/Nc4ccccc4C3=O)c2cc1Cl Show InChI InChI=1S/C16H8Cl2N2O2/c17-9-5-8-12(6-10(9)18)20-16(22)13(8)14-15(21)7-3-1-2-4-11(7)19-14/h1-6,19H,(H,20,22)/b14-13-	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Porcine)	BDBM7400 (6-bromo-3-[(2Z)-3-oxo-2,3-dihydro-1H-indol-2-ylide...) Show SMILES Brc1ccc2\C(C(=O)Nc2c1)=C1\Nc2ccccc2C1=O Show InChI InChI=1S/C16H9BrN2O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)14-15(20)10-3-1-2-4-11(10)18-14/h1-7,18H,(H,19,21)/b14-13-	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM15361 ((1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-me...) Show SMILES [H][C@@]12C[C@@H](C)OC(=O)c3c(O)cc(O)c(Cl)c3CC(=O)C=CC=C[C@@]1([H])O2 |r,w:22.22,20.20| Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/t9-,14-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Porcine)	BDBM7409 ((2 Z)-6-Iodoindirubin | 6-iodo-3-[(2Z)-3-oxo-2,3-d...) Show SMILES Ic1ccc2\C(C(=O)Nc2c1)=C1\Nc2ccccc2C1=O Show InChI InChI=1S/C16H9IN2O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)14-15(20)10-3-1-2-4-11(10)18-14/h1-7,18H,(H,19,21)/b14-13-	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Porcine)	BDBM7413 ((2 Z,3 E)-6-Vinylindirubin-3 -oxime | 6-ethenyl-3-...) Show SMILES C=Cc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O Show InChI InChI=1S/C18H13N3O2/c1-2-10-7-8-11-14(9-10)20-18(22)15(11)17-16(21-23)12-5-3-4-6-13(12)19-17/h2-9,15,19H,1H2,(H,20,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 [99-307] (Homo sapiens (Human))	BDBM7424 ((2 Z,3 E)-5,6-Dichloroindirubin-3 -oxime | 5,6-dic...) Show SMILES Clc1cc2NC(=O)C(c2cc1Cl)c1[nH]c2ccccc2c1N=O Show InChI InChI=1S/C16H9Cl2N3O2/c17-9-5-8-12(6-10(9)18)20-16(22)13(8)15-14(21-23)7-3-1-2-4-11(7)19-15/h1-6,13,19H,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Porcine)	BDBM7414 ((2 Z,3 E)-6-Vinylindirubin-3 -acetoxime | 6-vinyli...) Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(C=C)ccc12 |w:6.5,4.3| Show InChI InChI=1S/C20H15N3O3/c1-3-12-8-9-13-16(10-12)22-20(25)17(13)19-18(23-26-11(2)24)14-6-4-5-7-15(14)21-19/h3-10,21H,1H2,2H3,(H,22,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 [99-307] (Homo sapiens (Human))	BDBM7401 ((2 Z,3 E)-6-Bromoindirubin-3 -oxime | (3E)-6-bromo...) Show SMILES Brc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,13,18H,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Porcine)	BDBM7417 ((2 Z,3 E)-6-Fluoroindirubin-3 -acetoxime | 6-fluor...) Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(F)ccc12 |w:6.5,4.3| Show InChI InChI=1S/C18H12FN3O3/c1-9(23)25-22-16-12-4-2-3-5-13(12)20-17(16)15-11-7-6-10(19)8-14(11)21-18(15)24/h2-8,20H,1H3,(H,21,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68248 (Microlactone, 15a) Show SMILES Oc1cc(O)c2c(CC(=O)CCCC\C=C\CCOC2=O)c1Cl |t:14| Show InChI InChI=1S/C17H19ClO5/c18-16-12-9-11(19)7-5-3-1-2-4-6-8-23-17(22)15(12)13(20)10-14(16)21/h2,4,10,20-21H,1,3,5-9H2/b4-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 5 activator 1 [99-307] (Homo sapiens (Human))	BDBM7425 ((2 Z,3 E)-5,6-Dichloroindirubin-3 -acetoxime | 6,5...) Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(Cl)c(Cl)cc12 |w:6.5,4.3| Show InChI InChI=1S/C18H11Cl2N3O3/c1-8(24)26-23-16-9-4-2-3-5-13(9)21-17(16)15-10-6-11(19)12(20)7-14(10)22-18(15)25/h2-7,21H,1H3,(H,22,25)	PDB MMDB NCI pathway 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	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 [99-307] (Homo sapiens (Human))	BDBM7407 ((2 Z,3 E)-6-Chloroindirubin-3 -oxime | 6-chloro-3-...) Show SMILES Clc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O Show InChI InChI=1S/C16H10ClN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,13,18H,(H,19,21)	PDB MMDB NCI pathway 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	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 [99-307] (Homo sapiens (Human))	BDBM7393 (3-[(2Z,3E)-3-(hydroxyimino)-2,3-dihydro-1H-indol-2...) Show SMILES O=Nc1c([nH]c2ccccc12)C1C(=O)Nc2ccccc12 Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,13,17H,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68263 (Microlactone, 15h) Show SMILES Oc1cc(O)c2c(CC(=O)CCCCCC=CCCOC2=O)c1Cl |w:17.16,15.14| Show InChI InChI=1S/C18H21ClO5/c19-17-13-10-12(20)8-6-4-2-1-3-5-7-9-24-18(23)16(13)14(21)11-15(17)22/h3,5,11,21-22H,1-2,4,6-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68256 (Microlactone, 15c) Show SMILES C[C@@H]1C\C=C\CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,t:3| Show InChI InChI=1S/C18H21ClO5/c1-11-7-5-3-2-4-6-8-12(20)9-13-16(18(23)24-11)14(21)10-15(22)17(13)19/h3,5,10-11,21-22H,2,4,6-9H2,1H3/b5-3+/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (docked)
Glycogen synthase kinase-3 beta (Porcine)	BDBM7426 ((2 Z)-6-Bromo-5-nitroindirubin | 6-Bromo-5-nitroin...) Show SMILES [O-]c1c([nH]c2ccccc12)[C+]1C(=O)Nc2cc(Br)c(cc12)[N+]([O-])=O Show InChI InChI=1S/C16H8BrN3O4/c17-9-6-11-8(5-12(9)20(23)24)13(16(22)19-11)14-15(21)7-3-1-2-4-10(7)18-14/h1-6,18H,(H-,19,21,22)	PDB UniProtKB/TrEMBL 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	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68248 (Microlactone, 15a) Show SMILES Oc1cc(O)c2c(CC(=O)CCCC\C=C\CCOC2=O)c1Cl |t:14| Show InChI InChI=1S/C17H19ClO5/c18-16-12-9-11(19)7-5-3-1-2-4-6-8-23-17(22)15(12)13(20)10-14(16)21/h2,4,10,20-21H,1,3,5-9H2/b4-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Porcine)	BDBM7397 (6,6 -dibromoindirubin-3 -oxime | 6-bromo-3-[(2Z,3E...) Show SMILES Brc1ccc2C(C(=O)Nc2c1)c1[nH]c2cc(Br)ccc2c1N=O Show InChI InChI=1S/C16H9Br2N3O2/c17-7-1-3-9-11(5-7)20-16(22)13(9)15-14(21-23)10-4-2-8(18)6-12(10)19-15/h1-6,13,19H,(H,20,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 [99-307] (Homo sapiens (Human))	BDBM7421 ((2 Z,3 E)-6-Bromo-5-methylindirubin-3 -oxime | 6-b...) Show SMILES Cc1cc2C(C(=O)Nc2cc1Br)c1[nH]c2ccccc2c1N=O Show InChI InChI=1S/C17H12BrN3O2/c1-8-6-10-13(7-11(8)18)20-17(22)14(10)16-15(21-23)9-4-2-3-5-12(9)19-16/h2-7,14,19H,1H3,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Porcine)	BDBM7416 ((2 Z,3 E)-6-Fluoroindirubin-3 -oxime | 6-fluoro-3-...) Show SMILES Fc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O Show InChI InChI=1S/C16H10FN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,13,18H,(H,19,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Porcine)	BDBM7406 ((2 Z)-6-Chloroindirubin | 6-chloro-3-[(2Z)-3-oxo-2...) Show SMILES Clc1ccc2\C(C(=O)Nc2c1)=C1\Nc2ccccc2C1=O Show InChI InChI=1S/C16H9ClN2O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)14-15(20)10-3-1-2-4-11(10)18-14/h1-7,18H,(H,19,21)/b14-13-	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM7424 ((2 Z,3 E)-5,6-Dichloroindirubin-3 -oxime | 5,6-dic...) Show SMILES Clc1cc2NC(=O)C(c2cc1Cl)c1[nH]c2ccccc2c1N=O Show InChI InChI=1S/C16H9Cl2N3O2/c17-9-5-8-12(6-10(9)18)20-16(22)13(8)15-14(21-23)7-3-1-2-4-11(7)19-15/h1-6,13,19H,(H,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 [99-307] (Homo sapiens (Human))	BDBM7416 ((2 Z,3 E)-6-Fluoroindirubin-3 -oxime | 6-fluoro-3-...) Show SMILES Fc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O Show InChI InChI=1S/C16H10FN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,13,18H,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 [99-307] (Homo sapiens (Human))	BDBM7427 ((2 Z,3 E)-6-Bromo-5-nitroindirubin-3 -oxime | 6-Br...) Show SMILES [O-][N+](=O)c1cc2[c-](-c3[nH]c4ccccc4c3N=[OH+])c(=O)[nH]c2cc1Br |(.96,8.59,;2.41,8.07,;3.5,9.15,;2.56,6.53,;1.3,5.64,;1.44,4.11,;.4,2.98,;-1.14,2.98,;-2.04,1.73,;-3.51,2.2,;-4.84,1.43,;-6.18,2.2,;-6.18,3.75,;-4.84,4.52,;-3.51,3.75,;-2.04,4.22,;-1.57,5.69,;-2.66,6.77,;1.16,1.63,;.51,.23,;2.67,1.94,;2.84,3.47,;4.1,4.36,;3.96,5.89,;5.21,6.78,)| Show InChI InChI=1S/C16H8BrN4O4/c17-9-6-11-8(5-12(9)21(24)25)13(16(22)19-11)15-14(20-23)7-3-1-2-4-10(7)18-15/h1-6,18H,(H,19,22)/q-1/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Porcine)	BDBM7395 ((2 Z,3 E)-Indirubin-3 -methoxime | 3-[(2Z,3E)-3-(m...) Show SMILES CO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccccc12 Show InChI InChI=1S/C17H13N3O2/c1-22-20-15-11-7-3-5-9-13(11)18-16(15)14-10-6-2-4-8-12(10)19-17(14)21/h2-9,18H,1H3,(H,19,21)/b16-14-,20-15+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68250 (Microlactone, 15b) Show SMILES CC1C\C=C\CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |t:3| Show InChI InChI=1S/C18H21ClO5/c1-11-7-5-3-2-4-6-8-12(20)9-13-16(18(23)24-11)14(21)10-15(22)17(13)19/h3,5,10-11,21-22H,2,4,6-9H2,1H3/b5-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (docked)
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68264 (Microlactone, 15i) Show SMILES C[C@@H]1CC=CCCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,w:2.2,4.4| Show InChI InChI=1S/C19H23ClO5/c1-12-8-6-4-2-3-5-7-9-13(21)10-14-17(19(24)25-12)15(22)11-16(23)18(14)20/h4,6,11-12,22-23H,2-3,5,7-10H2,1H3/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68263 (Microlactone, 15h) Show SMILES Oc1cc(O)c2c(CC(=O)CCCCCC=CCCOC2=O)c1Cl |w:17.16,15.14| Show InChI InChI=1S/C18H21ClO5/c19-17-13-10-12(20)8-6-4-2-1-3-5-7-9-24-18(23)16(13)14(21)11-15(17)22/h3,5,11,21-22H,1-2,4,6-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM7393 (3-[(2Z,3E)-3-(hydroxyimino)-2,3-dihydro-1H-indol-2...) Show SMILES O=Nc1c([nH]c2ccccc12)C1C(=O)Nc2ccccc12 Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,13,17H,(H,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	7.2	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68249 (Microlactone, 16a) Show SMILES Oc1cc(O)c2c(CC(=O)CCCC[C@H]3O[C@@H]3CCOC2=O)c1Cl |r| Show InChI InChI=1S/C17H19ClO6/c18-16-10-7-9(19)3-1-2-4-13-14(24-13)5-6-23-17(22)15(10)11(20)8-12(16)21/h8,13-14,20-21H,1-7H2/t13-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 [99-307] (Homo sapiens (Human))	BDBM7408 ((2 Z,3 E)-6-Chloroindirubin-3 -acetoxime | 6-chlor...) Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(Cl)ccc12 |w:6.5,4.3| Show InChI InChI=1S/C18H12ClN3O3/c1-9(23)25-22-16-12-4-2-3-5-13(12)20-17(16)15-11-7-6-10(19)8-14(11)21-18(15)24/h2-8,20H,1H3,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Porcine)	BDBM7394 ((2 Z,3 E)-Indirubin-3 -acetoxime | [(3E)-2-[(3Z)-2...) Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2ccccc12 |w:6.5,4.3| Show InChI InChI=1S/C18H13N3O3/c1-10(22)24-21-16-12-7-3-5-9-14(12)19-17(16)15-11-6-2-4-8-13(11)20-18(15)23/h2-9,19H,1H3,(H,20,23)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM15361 ((1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-me...) Show SMILES [H][C@@]12C[C@@H](C)OC(=O)c3c(O)cc(O)c(Cl)c3CC(=O)C=CC=C[C@@]1([H])O2 |r,w:22.22,20.20| Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/t9-,14-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description A colorimetric assay for the release of inorganic phosphate upon hydrolysis of ATP was used to determine the potency of Hsp 90 inhibitor against enzy...				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68264 (Microlactone, 15i) Show SMILES C[C@@H]1CC=CCCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,w:2.2,4.4| Show InChI InChI=1S/C19H23ClO5/c1-12-8-6-4-2-3-5-7-9-13(21)10-14-17(19(24)25-12)15(22)11-16(23)18(14)20/h4,6,11-12,22-23H,2-3,5,7-10H2,1H3/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair

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