Compile Data Set for Download or QSAR

Found 113 hits with Last Name = 'luksch' and Initial = 't'   

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
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM32391 (iso-butyl-substituted sulfonamide, 9b) Show SMILES CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccc(N)cc1)S(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C24H39N5O4S2/c1-19(2)17-28(34(30,31)23-9-5-21(25)6-10-23)15-13-27-14-16-29(18-20(3)4)35(32,33)24-11-7-22(26)8-12-24/h5-12,19-20,27H,13-18,25-26H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB Article PubMed	900	-34.3	n/a	n/a	n/a	n/a	n/a	5.5	23
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM32389 (phenyl-substituted sulfonamides, 6f) Show SMILES Nc1ccc(cc1)S(=O)(=O)N(CCCNCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1)Cc1ccccc1 Show InChI InChI=1S/C32H39N5O4S2/c33-29-13-17-31(18-14-29)42(38,39)36(25-27-9-3-1-4-10-27)23-7-21-35-22-8-24-37(26-28-11-5-2-6-12-28)43(40,41)32-19-15-30(34)16-20-32/h1-6,9-20,35H,7-8,21-26,33-34H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.80E+3	-31.5	n/a	n/a	n/a	n/a	n/a	4.5	23
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM32384 (phenyl-substituted sulfonamides, 6a) Show SMILES O=S(=O)(N(CCNCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H33N3O4S2/c34-38(35,29-17-9-3-10-18-29)32(25-27-13-5-1-6-14-27)23-21-31-22-24-33(26-28-15-7-2-8-16-28)39(36,37)30-19-11-4-12-20-30/h1-20,31H,21-26H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.80E+3	-30.7	n/a	n/a	n/a	n/a	n/a	5.5	23
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM32387 (phenyl-substituted sulfonamides, 6d) Show SMILES Nc1ccc(cc1)S(=O)(=O)N(CCNCCN(Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1)Cc1ccccc1 Show InChI InChI=1S/C30H35N5O4S2/c31-27-11-15-29(16-12-27)40(36,37)34(23-25-7-3-1-4-8-25)21-19-33-20-22-35(24-26-9-5-2-6-10-26)41(38,39)30-17-13-28(32)14-18-30/h1-18,33H,19-24,31-32H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	3.90E+3	-30.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM32389 (phenyl-substituted sulfonamides, 6f) Show SMILES Nc1ccc(cc1)S(=O)(=O)N(CCCNCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1)Cc1ccccc1 Show InChI InChI=1S/C32H39N5O4S2/c33-29-13-17-31(18-14-29)42(38,39)36(25-27-9-3-1-4-10-27)23-7-21-35-22-8-24-37(26-28-11-5-2-6-12-28)43(40,41)32-19-15-30(34)16-20-32/h1-6,9-20,35H,7-8,21-26,33-34H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	-30.8	n/a	n/a	n/a	n/a	n/a	n/a	25
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM32387 (phenyl-substituted sulfonamides, 6d) Show SMILES Nc1ccc(cc1)S(=O)(=O)N(CCNCCN(Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1)Cc1ccccc1 Show InChI InChI=1S/C30H35N5O4S2/c31-27-11-15-29(16-12-27)40(36,37)34(23-25-7-3-1-4-8-25)21-19-33-20-22-35(24-26-9-5-2-6-10-26)41(38,39)30-17-13-28(32)14-18-30/h1-18,33H,19-24,31-32H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	4.20E+3	-30.5	n/a	n/a	n/a	n/a	n/a	4.5	23
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM32390 (iso-butyl-substituted sulfonamide, 9a) Show SMILES CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C24H37N3O4S2/c1-21(2)19-26(32(28,29)23-11-7-5-8-12-23)17-15-25-16-18-27(20-22(3)4)33(30,31)24-13-9-6-10-14-24/h5-14,21-22,25H,15-20H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.50E+3	-30.5	n/a	n/a	n/a	n/a	n/a	n/a	25
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM32391 (iso-butyl-substituted sulfonamide, 9b) Show SMILES CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccc(N)cc1)S(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C24H39N5O4S2/c1-19(2)17-28(34(30,31)23-9-5-21(25)6-10-23)15-13-27-14-16-29(18-20(3)4)35(32,33)24-11-7-22(26)8-12-24/h5-12,19-20,27H,13-18,25-26H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	4.80E+3	-30.4	n/a	n/a	n/a	n/a	n/a	n/a	25
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM32392 (carboxamide, 12a) Show SMILES O=C(Cc1ccccc1)N(CCNCCN(Cc1ccccc1)C(=O)Cc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C34H37N3O2/c38-33(25-29-13-5-1-6-14-29)36(27-31-17-9-3-10-18-31)23-21-35-22-24-37(28-32-19-11-4-12-20-32)34(39)26-30-15-7-2-8-16-30/h1-20,35H,21-28H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.70E+3	-29.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM32384 (phenyl-substituted sulfonamides, 6a) Show SMILES O=S(=O)(N(CCNCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H33N3O4S2/c34-38(35,29-17-9-3-10-18-29)32(25-27-13-5-1-6-14-27)23-21-31-22-24-33(26-28-15-7-2-8-16-28)39(36,37)30-19-11-4-12-20-30/h1-20,31H,21-26H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.70E+3	-29.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM32391 (iso-butyl-substituted sulfonamide, 9b) Show SMILES CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccc(N)cc1)S(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C24H39N5O4S2/c1-19(2)17-28(34(30,31)23-9-5-21(25)6-10-23)15-13-27-14-16-29(18-20(3)4)35(32,33)24-11-7-22(26)8-12-24/h5-12,19-20,27H,13-18,25-26H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	6.80E+3	-29.3	n/a	n/a	n/a	n/a	n/a	4.5	23
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM32384 (phenyl-substituted sulfonamides, 6a) Show SMILES O=S(=O)(N(CCNCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H33N3O4S2/c34-38(35,29-17-9-3-10-18-29)32(25-27-13-5-1-6-14-27)23-21-31-22-24-33(26-28-15-7-2-8-16-28)39(36,37)30-19-11-4-12-20-30/h1-20,31H,21-26H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.00E+3	-29.2	n/a	n/a	n/a	n/a	n/a	4.5	23
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Plasmepsin IV (Plasmodium falciparum)	BDBM32387 (phenyl-substituted sulfonamides, 6d) Show SMILES Nc1ccc(cc1)S(=O)(=O)N(CCNCCN(Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1)Cc1ccccc1 Show InChI InChI=1S/C30H35N5O4S2/c31-27-11-15-29(16-12-27)40(36,37)34(23-25-7-3-1-4-8-25)21-19-33-20-22-35(24-26-9-5-2-6-10-26)41(38,39)30-17-13-28(32)14-18-30/h1-18,33H,19-24,31-32H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	7.50E+3	-29.1	n/a	n/a	n/a	n/a	n/a	4.5	23
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Plasmepsin IV (Plasmodium falciparum)	BDBM32388 (phenyl-substituted sulfonamides, 6e) Show SMILES Nc1ccc(cc1)S(=O)(=O)N(CCCNCCN(Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1)Cc1ccccc1 Show InChI InChI=1S/C31H37N5O4S2/c32-28-12-16-30(17-13-28)41(37,38)35(24-26-8-3-1-4-9-26)22-7-20-34-21-23-36(25-27-10-5-2-6-11-27)42(39,40)31-18-14-29(33)15-19-31/h1-6,8-19,34H,7,20-25,32-33H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.50E+3	-29.1	n/a	n/a	n/a	n/a	n/a	4.5	23
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM32387 (phenyl-substituted sulfonamides, 6d) Show SMILES Nc1ccc(cc1)S(=O)(=O)N(CCNCCN(Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1)Cc1ccccc1 Show InChI InChI=1S/C30H35N5O4S2/c31-27-11-15-29(16-12-27)40(36,37)34(23-25-7-3-1-4-8-25)21-19-33-20-22-35(24-26-9-5-2-6-10-26)41(38,39)30-17-13-28(32)14-18-30/h1-18,33H,19-24,31-32H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB Article PubMed	9.60E+3	-28.4	n/a	n/a	n/a	n/a	n/a	5.5	23
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM32390 (iso-butyl-substituted sulfonamide, 9a) Show SMILES CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C24H37N3O4S2/c1-21(2)19-26(32(28,29)23-11-7-5-8-12-23)17-15-25-16-18-27(20-22(3)4)33(30,31)24-13-9-6-10-14-24/h5-14,21-22,25H,15-20H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	-28.3	n/a	n/a	n/a	n/a	n/a	5.5	23
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM32385 (phenyl-substituted sulfonamides, 6b) Show SMILES O=S(=O)(N(CCCNCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H35N3O4S2/c35-39(36,30-18-9-3-10-19-30)33(26-28-14-5-1-6-15-28)24-13-22-32-23-25-34(27-29-16-7-2-8-17-29)40(37,38)31-20-11-4-12-21-31/h1-12,14-21,32H,13,22-27H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40E+4	-27.5	n/a	n/a	n/a	n/a	n/a	5.5	23
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM32385 (phenyl-substituted sulfonamides, 6b) Show SMILES O=S(=O)(N(CCCNCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H35N3O4S2/c35-39(36,30-18-9-3-10-19-30)33(26-28-14-5-1-6-15-28)24-13-22-32-23-25-34(27-29-16-7-2-8-17-29)40(37,38)31-20-11-4-12-21-31/h1-12,14-21,32H,13,22-27H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.50E+4	-27.5	n/a	n/a	n/a	n/a	n/a	n/a	25
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM32394 (carboxamide, 12c) Show SMILES O=C(Cc1ccccc1)N(CCCNCCCN(Cc1ccccc1)C(=O)Cc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C36H41N3O2/c40-35(27-31-15-5-1-6-16-31)38(29-33-19-9-3-10-20-33)25-13-23-37-24-14-26-39(30-34-21-11-4-12-22-34)36(41)28-32-17-7-2-8-18-32/h1-12,15-22,37H,13-14,23-30H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.60E+4	-27.4	n/a	n/a	n/a	n/a	n/a	n/a	25
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Plasmepsin IV (Plasmodium falciparum)	BDBM32385 (phenyl-substituted sulfonamides, 6b) Show SMILES O=S(=O)(N(CCCNCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H35N3O4S2/c35-39(36,30-18-9-3-10-19-30)33(26-28-14-5-1-6-15-28)24-13-22-32-23-25-34(27-29-16-7-2-8-17-29)40(37,38)31-20-11-4-12-21-31/h1-12,14-21,32H,13,22-27H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70E+4	-27.0	n/a	n/a	n/a	n/a	n/a	4.5	23
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM32385 (phenyl-substituted sulfonamides, 6b) Show SMILES O=S(=O)(N(CCCNCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H35N3O4S2/c35-39(36,30-18-9-3-10-19-30)33(26-28-14-5-1-6-15-28)24-13-22-32-23-25-34(27-29-16-7-2-8-17-29)40(37,38)31-20-11-4-12-21-31/h1-12,14-21,32H,13,22-27H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.80E+4	-26.9	n/a	n/a	n/a	n/a	n/a	4.5	23
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Plasmepsin IV (Plasmodium falciparum)	BDBM32389 (phenyl-substituted sulfonamides, 6f) Show SMILES Nc1ccc(cc1)S(=O)(=O)N(CCCNCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1)Cc1ccccc1 Show InChI InChI=1S/C32H39N5O4S2/c33-29-13-17-31(18-14-29)42(38,39)36(25-27-9-3-1-4-10-27)23-7-21-35-22-8-24-37(26-28-11-5-2-6-12-28)43(40,41)32-19-15-30(34)16-20-32/h1-6,9-20,35H,7-8,21-26,33-34H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.00E+4	-26.6	n/a	n/a	n/a	n/a	n/a	4.5	23
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM32386 (phenyl-substituted sulfonamides, 6c) Show SMILES O=S(=O)(N(CCCNCCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H37N3O4S2/c36-40(37,31-19-9-3-10-20-31)34(27-29-15-5-1-6-16-29)25-13-23-33-24-14-26-35(28-30-17-7-2-8-18-30)41(38,39)32-21-11-4-12-22-32/h1-12,15-22,33H,13-14,23-28H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.10E+4	-26.5	n/a	n/a	n/a	n/a	n/a	4.5	23
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM32388 (phenyl-substituted sulfonamides, 6e) Show SMILES Nc1ccc(cc1)S(=O)(=O)N(CCCNCCN(Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1)Cc1ccccc1 Show InChI InChI=1S/C31H37N5O4S2/c32-28-12-16-30(17-13-28)41(37,38)35(24-26-8-3-1-4-9-26)22-7-20-34-21-23-36(25-27-10-5-2-6-11-27)42(39,40)31-18-14-29(33)15-19-31/h1-6,8-19,34H,7,20-25,32-33H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.20E+4	-26.4	n/a	n/a	n/a	n/a	n/a	4.5	23
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM32390 (iso-butyl-substituted sulfonamide, 9a) Show SMILES CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C24H37N3O4S2/c1-21(2)19-26(32(28,29)23-11-7-5-8-12-23)17-15-25-16-18-27(20-22(3)4)33(30,31)24-13-9-6-10-14-24/h5-14,21-22,25H,15-20H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.30E+4	-26.3	n/a	n/a	n/a	n/a	n/a	4.5	23
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Plasmepsin IV (Plasmodium falciparum)	BDBM32384 (phenyl-substituted sulfonamides, 6a) Show SMILES O=S(=O)(N(CCNCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H33N3O4S2/c34-38(35,29-17-9-3-10-18-29)32(25-27-13-5-1-6-14-27)23-21-31-22-24-33(26-28-15-7-2-8-16-28)39(36,37)30-19-11-4-12-20-30/h1-20,31H,21-26H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.60E+4	-25.2	n/a	n/a	n/a	n/a	n/a	4.5	23
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Plasmepsin IV (Plasmodium falciparum)	BDBM32386 (phenyl-substituted sulfonamides, 6c) Show SMILES O=S(=O)(N(CCCNCCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H37N3O4S2/c36-40(37,31-19-9-3-10-20-31)34(27-29-15-5-1-6-16-29)25-13-23-33-24-14-26-35(28-30-17-7-2-8-18-30)41(38,39)32-21-11-4-12-22-32/h1-12,15-22,33H,13-14,23-28H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.20E+4	-24.8	n/a	n/a	n/a	n/a	n/a	4.5	23
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Plasmepsin IV (Plasmodium falciparum)	BDBM32391 (iso-butyl-substituted sulfonamide, 9b) Show SMILES CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccc(N)cc1)S(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C24H39N5O4S2/c1-19(2)17-28(34(30,31)23-9-5-21(25)6-10-23)15-13-27-14-16-29(18-20(3)4)35(32,33)24-11-7-22(26)8-12-24/h5-12,19-20,27H,13-18,25-26H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	5.60E+4	-24.3	n/a	n/a	n/a	n/a	n/a	n/a	25
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Plasmepsin IV (Plasmodium falciparum)	BDBM32393 (carboxamide, 12b) Show SMILES O=C(Cc1ccccc1)N(CCCNCCN(Cc1ccccc1)C(=O)Cc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C35H39N3O2/c39-34(26-30-14-5-1-6-15-30)37(28-32-18-9-3-10-19-32)24-13-22-36-23-25-38(29-33-20-11-4-12-21-33)35(40)27-31-16-7-2-8-17-31/h1-12,14-21,36H,13,22-29H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.60E+4	-24.3	n/a	n/a	n/a	n/a	n/a	n/a	25
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM32393 (carboxamide, 12b) Show SMILES O=C(Cc1ccccc1)N(CCCNCCN(Cc1ccccc1)C(=O)Cc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C35H39N3O2/c39-34(26-30-14-5-1-6-15-30)37(28-32-18-9-3-10-19-32)24-13-22-36-23-25-38(29-33-20-11-4-12-21-33)35(40)27-31-16-7-2-8-17-31/h1-12,14-21,36H,13,22-29H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.30E+4	-23.8	n/a	n/a	n/a	n/a	n/a	4.5	23
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Beta-secretase 1 [22-457] (Homo sapiens (Human))	BDBM32389 (phenyl-substituted sulfonamides, 6f) Show SMILES Nc1ccc(cc1)S(=O)(=O)N(CCCNCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1)Cc1ccccc1 Show InChI InChI=1S/C32H39N5O4S2/c33-29-13-17-31(18-14-29)42(38,39)36(25-27-9-3-1-4-10-27)23-7-21-35-22-8-24-37(26-28-11-5-2-6-12-28)43(40,41)32-19-15-30(34)16-20-32/h1-6,9-20,35H,7-8,21-26,33-34H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.40E+4	-23.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Plasmepsin IV (Plasmodium falciparum)	BDBM32390 (iso-butyl-substituted sulfonamide, 9a) Show SMILES CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C24H37N3O4S2/c1-21(2)19-26(32(28,29)23-11-7-5-8-12-23)17-15-25-16-18-27(20-22(3)4)33(30,31)24-13-9-6-10-14-24/h5-14,21-22,25H,15-20H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.70E+4	-23.0	n/a	n/a	n/a	n/a	n/a	4.5	23
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM32392 (carboxamide, 12a) Show SMILES O=C(Cc1ccccc1)N(CCNCCN(Cc1ccccc1)C(=O)Cc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C34H37N3O2/c38-33(25-29-13-5-1-6-14-29)36(27-31-17-9-3-10-18-31)23-21-35-22-24-37(28-32-19-11-4-12-20-32)34(39)26-30-15-7-2-8-16-30/h1-20,35H,21-28H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.10E+4	-22.9	n/a	n/a	n/a	n/a	n/a	4.5	23
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Plasmepsin IV (Plasmodium falciparum)	BDBM32392 (carboxamide, 12a) Show SMILES O=C(Cc1ccccc1)N(CCNCCN(Cc1ccccc1)C(=O)Cc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C34H37N3O2/c38-33(25-29-13-5-1-6-14-29)36(27-31-17-9-3-10-18-31)23-21-35-22-24-37(28-32-19-11-4-12-20-32)34(39)26-30-15-7-2-8-16-30/h1-20,35H,21-28H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.80E+4	-22.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM32394 (carboxamide, 12c) Show SMILES O=C(Cc1ccccc1)N(CCCNCCCN(Cc1ccccc1)C(=O)Cc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C36H41N3O2/c40-35(27-31-15-5-1-6-16-31)38(29-33-19-9-3-10-20-33)25-13-23-37-24-14-26-39(30-34-21-11-4-12-22-34)36(41)28-32-17-7-2-8-18-32/h1-12,15-22,37H,13-14,23-30H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.20E+5	-22.2	n/a	n/a	n/a	n/a	n/a	4.5	23
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Beta-secretase 1 [22-457] (Homo sapiens (Human))	BDBM32386 (phenyl-substituted sulfonamides, 6c) Show SMILES O=S(=O)(N(CCCNCCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H37N3O4S2/c36-40(37,31-19-9-3-10-20-31)34(27-29-15-5-1-6-16-29)25-13-23-33-24-14-26-35(28-30-17-7-2-8-18-30)41(38,39)32-21-11-4-12-22-32/h1-12,15-22,33H,13-14,23-28H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.50E+5	-21.8	n/a	n/a	n/a	n/a	n/a	n/a	25
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Plasmepsin IV (Plasmodium falciparum)	BDBM32394 (carboxamide, 12c) Show SMILES O=C(Cc1ccccc1)N(CCCNCCCN(Cc1ccccc1)C(=O)Cc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C36H41N3O2/c40-35(27-31-15-5-1-6-16-31)38(29-33-19-9-3-10-20-33)25-13-23-37-24-14-26-39(30-34-21-11-4-12-22-34)36(41)28-32-17-7-2-8-18-32/h1-12,15-22,37H,13-14,23-30H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70E+5	-21.5	n/a	n/a	n/a	n/a	n/a	n/a	25
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM50025647 (CHEMBL3335148) Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1ccc(cc1)N1CCN(C)CC1 |r,wU:5.8,wD:2.1,(46.69,-17.62,;45.15,-17.61,;44.37,-18.94,;42.83,-18.93,;42.04,-20.26,;42.81,-21.59,;44.35,-21.61,;45.13,-20.28,;42.04,-22.92,;40.5,-22.92,;39.73,-21.58,;39.72,-24.25,;40.24,-25.71,;39.02,-26.64,;37.75,-25.77,;38.18,-24.3,;37.4,-22.97,;35.86,-22.99,;35.1,-24.33,;35.08,-21.66,;33.54,-21.69,;32.76,-20.37,;33.51,-19.02,;35.05,-19,;35.84,-20.33,;32.73,-17.69,;33.48,-16.35,;32.69,-15.03,;31.15,-15.04,;30.37,-13.72,;30.4,-16.39,;31.19,-17.71,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia 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
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay				J Med Chem 57: 7536-49 (2014) Article DOI: 10.1021/jm500239b BindingDB Entry DOI: 10.7270/Q2M04712
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM50025645 (CHEMBL3335146) Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1ccc(OC(F)F)cc1 |r,wU:5.8,wD:2.1,(46.69,-17.62,;45.15,-17.61,;44.37,-18.94,;42.83,-18.93,;42.04,-20.26,;42.81,-21.59,;44.35,-21.61,;45.13,-20.28,;42.04,-22.92,;40.5,-22.92,;39.73,-21.58,;39.72,-24.25,;40.24,-25.71,;39.02,-26.64,;37.75,-25.77,;38.18,-24.3,;37.4,-22.97,;35.86,-22.99,;35.1,-24.33,;35.08,-21.66,;33.54,-21.69,;32.76,-20.37,;33.51,-19.02,;32.73,-17.69,;33.48,-16.35,;32.69,-15.03,;35.02,-16.33,;35.05,-19,;35.84,-20.33,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia 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
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay				J Med Chem 57: 7536-49 (2014) Article DOI: 10.1021/jm500239b BindingDB Entry DOI: 10.7270/Q2M04712
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM50025650 (CHEMBL3335151) Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1cnc2ccccn12 |r,wU:5.8,wD:2.1,(22.75,-5.31,;21.21,-5.3,;20.43,-6.63,;18.89,-6.62,;18.11,-7.95,;18.88,-9.28,;20.42,-9.29,;21.19,-7.97,;18.1,-10.61,;16.56,-10.61,;15.8,-9.27,;15.79,-11.94,;16.3,-13.39,;15.08,-14.33,;13.81,-13.46,;14.25,-11.99,;13.46,-10.66,;11.92,-10.68,;11.17,-12.02,;11.14,-9.35,;11.76,-7.93,;10.6,-6.92,;9.28,-7.7,;7.82,-7.24,;6.69,-8.28,;7.03,-9.79,;8.49,-10.24,;9.61,-9.2,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia 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
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay				J Med Chem 57: 7536-49 (2014) Article DOI: 10.1021/jm500239b BindingDB Entry DOI: 10.7270/Q2M04712
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM50025628 (CHEMBL3335124) Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1ccccc1 |r,wU:5.8,wD:2.1,(25.2,-17.72,;23.66,-17.71,;22.88,-19.04,;21.34,-19.03,;20.56,-20.36,;21.32,-21.69,;22.87,-21.71,;23.64,-20.38,;20.55,-23.02,;19.01,-23.02,;18.24,-21.68,;18.24,-24.35,;18.75,-25.81,;17.53,-26.74,;16.26,-25.87,;16.7,-24.4,;15.91,-23.07,;14.37,-23.09,;13.62,-24.43,;13.59,-21.76,;14.35,-20.43,;13.57,-19.1,;12.02,-19.12,;11.27,-20.47,;12.06,-21.79,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia 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
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay				J Med Chem 57: 7536-49 (2014) Article DOI: 10.1021/jm500239b BindingDB Entry DOI: 10.7270/Q2M04712
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM50025646 (CHEMBL3335147) Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1ccc(cc1)N1CCCC1 |r,wU:5.8,wD:2.1,(46.69,-17.62,;45.15,-17.61,;44.37,-18.94,;42.83,-18.93,;42.04,-20.26,;42.81,-21.59,;44.35,-21.61,;45.13,-20.28,;42.04,-22.92,;40.5,-22.92,;39.73,-21.58,;39.72,-24.25,;40.24,-25.71,;39.02,-26.64,;37.75,-25.77,;38.18,-24.3,;37.4,-22.97,;35.86,-22.99,;35.1,-24.33,;35.08,-21.66,;33.54,-21.69,;32.76,-20.37,;33.51,-19.02,;35.05,-19,;35.84,-20.33,;32.73,-17.69,;33.33,-16.28,;32.18,-15.26,;30.85,-16.05,;31.19,-17.55,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia 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
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay				J Med Chem 57: 7536-49 (2014) Article DOI: 10.1021/jm500239b BindingDB Entry DOI: 10.7270/Q2M04712
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM50025644 (CHEMBL3335145) Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1cc(Cl)cc(Cl)c1 |r,wU:5.8,wD:2.1,(46.69,-17.62,;45.15,-17.61,;44.37,-18.94,;42.83,-18.93,;42.04,-20.26,;42.81,-21.59,;44.35,-21.61,;45.13,-20.28,;42.04,-22.92,;40.5,-22.92,;39.73,-21.58,;39.72,-24.25,;40.24,-25.71,;39.02,-26.64,;37.75,-25.77,;38.18,-24.3,;37.4,-22.97,;35.86,-22.99,;35.1,-24.33,;35.08,-21.66,;35.84,-20.33,;35.05,-19,;35.81,-17.66,;33.51,-19.02,;32.76,-20.37,;31.22,-20.39,;33.54,-21.69,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia 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
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay				J Med Chem 57: 7536-49 (2014) Article DOI: 10.1021/jm500239b BindingDB Entry DOI: 10.7270/Q2M04712
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM50025643 (CHEMBL3335144) Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1cc(F)cc(F)c1 |r,wU:5.8,wD:2.1,(25.2,-17.72,;23.66,-17.71,;22.88,-19.04,;21.34,-19.03,;20.56,-20.36,;21.32,-21.69,;22.87,-21.71,;23.64,-20.38,;20.55,-23.02,;19.01,-23.02,;18.24,-21.68,;18.24,-24.35,;18.75,-25.81,;17.53,-26.74,;16.26,-25.87,;16.7,-24.4,;15.91,-23.07,;14.37,-23.09,;13.62,-24.43,;13.59,-21.76,;12.06,-21.79,;11.27,-20.47,;9.71,-20.49,;12.02,-19.12,;13.57,-19.1,;14.33,-17.75,;14.35,-20.43,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia 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
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay				J Med Chem 57: 7536-49 (2014) Article DOI: 10.1021/jm500239b BindingDB Entry DOI: 10.7270/Q2M04712
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM50025642 (CHEMBL3335143) Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1ccc(F)cc1F |r,wU:5.8,wD:2.1,(25.2,-17.72,;23.66,-17.71,;22.88,-19.04,;21.34,-19.03,;20.56,-20.36,;21.32,-21.69,;22.87,-21.71,;23.64,-20.38,;20.55,-23.02,;19.01,-23.02,;18.24,-21.68,;18.24,-24.35,;18.75,-25.81,;17.53,-26.74,;16.26,-25.87,;16.7,-24.4,;15.91,-23.07,;14.37,-23.09,;13.62,-24.43,;13.59,-21.76,;14.35,-20.43,;13.57,-19.1,;12.02,-19.12,;11.24,-17.79,;11.27,-20.47,;12.06,-21.79,;11.31,-23.13,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia 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
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay				J Med Chem 57: 7536-49 (2014) Article DOI: 10.1021/jm500239b BindingDB Entry DOI: 10.7270/Q2M04712
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM50025634 (CHEMBL3335125) Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1ccccc1F |r,wU:5.8,wD:2.1,(25.2,-17.72,;23.66,-17.71,;22.88,-19.04,;21.34,-19.03,;20.56,-20.36,;21.32,-21.69,;22.87,-21.71,;23.64,-20.38,;20.55,-23.02,;19.01,-23.02,;18.24,-21.68,;18.24,-24.35,;18.75,-25.81,;17.53,-26.74,;16.26,-25.87,;16.7,-24.4,;15.91,-23.07,;14.37,-23.09,;13.62,-24.43,;13.59,-21.76,;14.35,-20.43,;13.57,-19.1,;12.02,-19.12,;11.27,-20.47,;12.06,-21.79,;11.3,-23.15,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia 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
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay				J Med Chem 57: 7536-49 (2014) Article DOI: 10.1021/jm500239b BindingDB Entry DOI: 10.7270/Q2M04712
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM50025653 (CHEMBL3335154) Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1ncoc1-c1ccccc1 |r,wU:5.8,wD:2.1,(22.74,-5.31,;21.2,-5.3,;20.43,-6.63,;18.88,-6.62,;18.1,-7.95,;18.87,-9.28,;20.41,-9.29,;21.18,-7.97,;18.09,-10.61,;16.55,-10.6,;15.79,-9.27,;15.78,-11.93,;16.3,-13.39,;15.07,-14.32,;13.8,-13.45,;14.24,-11.98,;13.46,-10.66,;11.92,-10.67,;11.16,-12.01,;11.13,-9.35,;11.75,-7.93,;10.6,-6.91,;9.28,-7.7,;9.61,-9.2,;8.51,-10.3,;7.01,-9.9,;5.91,-10.99,;6.31,-12.5,;7.81,-12.9,;8.91,-11.8,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia 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
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay				J Med Chem 57: 7536-49 (2014) Article DOI: 10.1021/jm500239b BindingDB Entry DOI: 10.7270/Q2M04712
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM50025652 (CHEMBL3335153) Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1ccc(o1)-c1ccccc1 |r,wU:5.8,wD:2.1,(22.74,-5.31,;21.2,-5.3,;20.43,-6.63,;18.88,-6.62,;18.1,-7.95,;18.87,-9.28,;20.41,-9.29,;21.18,-7.97,;18.09,-10.61,;16.55,-10.6,;15.79,-9.27,;15.78,-11.93,;16.3,-13.39,;15.07,-14.32,;13.8,-13.45,;14.24,-11.98,;13.46,-10.66,;11.92,-10.67,;11.16,-12.01,;11.13,-9.35,;11.75,-7.93,;10.6,-6.91,;9.28,-7.7,;9.61,-9.2,;7.85,-7.08,;7.67,-5.54,;6.25,-4.92,;5,-5.85,;5.18,-7.39,;6.6,-8.01,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia 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
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay				J Med Chem 57: 7536-49 (2014) Article DOI: 10.1021/jm500239b BindingDB Entry DOI: 10.7270/Q2M04712
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM50025649 (CHEMBL3335150) Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1cc2ccccn2n1 |r,wU:5.8,wD:2.1,(46.69,-17.62,;45.15,-17.61,;44.37,-18.94,;42.83,-18.93,;42.04,-20.26,;42.81,-21.59,;44.35,-21.61,;45.13,-20.28,;42.04,-22.92,;40.5,-22.92,;39.73,-21.58,;39.72,-24.25,;40.24,-25.71,;39.02,-26.64,;37.75,-25.77,;38.18,-24.3,;37.4,-22.97,;35.86,-22.99,;35.1,-24.33,;35.08,-21.66,;33.54,-21.52,;33.21,-20.02,;31.86,-19.26,;31.85,-17.72,;33.17,-16.94,;34.51,-17.69,;34.53,-19.23,;35.69,-20.25,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia 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
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay				J Med Chem 57: 7536-49 (2014) Article DOI: 10.1021/jm500239b BindingDB Entry DOI: 10.7270/Q2M04712
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM50025640 (CHEMBL3335141) Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1c(OC)cccc1OC |r,wU:5.8,wD:2.1,(25.2,-17.72,;23.66,-17.71,;22.88,-19.04,;21.34,-19.03,;20.56,-20.36,;21.32,-21.69,;22.87,-21.71,;23.64,-20.38,;20.55,-23.02,;19.01,-23.02,;18.24,-21.68,;18.24,-24.35,;18.75,-25.81,;17.53,-26.74,;16.26,-25.87,;16.7,-24.4,;15.91,-23.07,;14.37,-23.09,;13.62,-24.43,;13.59,-21.76,;12.06,-21.79,;11.3,-23.15,;12.1,-24.48,;11.27,-20.47,;12.02,-19.12,;13.57,-19.1,;14.35,-20.43,;15.9,-20.41,;16.67,-19.06,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia 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
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay				J Med Chem 57: 7536-49 (2014) Article DOI: 10.1021/jm500239b BindingDB Entry DOI: 10.7270/Q2M04712
					More data for this Ligand-Target Pair

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