Compile Data Set for Download or QSAR

Found 377 hits with Last Name = 'frearson' and Initial = 'ja'   

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
Pteridine reductase (Trypanosoma brucei brucei)	BDBM31801 (2-aminobenzimidazole deriv., 12) Show SMILES Nc1nc2cccc(-c3ccccc3)c2n1Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H15Cl2N3/c21-16-10-9-13(11-17(16)22)12-25-19-15(14-5-2-1-3-6-14)7-4-8-18(19)24-20(25)23/h1-11H,12H2,(H2,23,24)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	7	-46.2	n/a	n/a	n/a	n/a	n/a	6.0	23
University of Dundee					Assay Description TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...				J Med Chem 52: 4454-65 (2009) Article DOI: 10.1021/jm900414x BindingDB Entry DOI: 10.7270/Q28050X3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pteridine reductase (Trypanosoma brucei brucei)	BDBM31800 (2-aminobenzimidazole deriv., 11) Show SMILES CCCOc1cccc2nc(N)n(Cc3ccc(Cl)c(Cl)c3)c12 Show InChI InChI=1S/C17H17Cl2N3O/c1-2-8-23-15-5-3-4-14-16(15)22(17(20)21-14)10-11-6-7-12(18)13(19)9-11/h3-7,9H,2,8,10H2,1H3,(H2,20,21)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	47	-41.5	n/a	n/a	n/a	n/a	n/a	6.0	23
University of Dundee					Assay Description TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...				J Med Chem 52: 4454-65 (2009) Article DOI: 10.1021/jm900414x BindingDB Entry DOI: 10.7270/Q28050X3
					More data for this Ligand-Target Pair				3D Structure (docked)
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354279 (CHEMBL1836603) Show SMILES CN(C)CCCN1C(c2ccc(C)cc2)c2cc(Cl)ccc2N=C1C |c:24| Show InChI InChI=1S/C21H26ClN3/c1-15-6-8-17(9-7-15)21-19-14-18(22)10-11-20(19)23-16(2)25(21)13-5-12-24(3)4/h6-11,14,21H,5,12-13H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Competitive inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by Lineweaver burk method				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354268 (CHEMBL1836570) Show SMILES CN(C)CC(=O)N1CCN(CCN2C(c3ccccc3)c3cc(Cl)ccc3N=C2C)CC1 |c:29| Show InChI InChI=1S/C25H32ClN5O/c1-19-27-23-10-9-21(26)17-22(23)25(20-7-5-4-6-8-20)31(19)16-13-29-11-14-30(15-12-29)24(32)18-28(2)3/h4-10,17,25H,11-16,18H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Competitive inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by Lineweaver burk method				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354299 (CHEMBL1836378) Show SMILES CN1CCN(CCN2C(c3ccccc3)c3cc(Cl)ccc3N=C2C)CC1 |c:24| Show InChI InChI=1S/C22H27ClN4/c1-17-24-21-9-8-19(23)16-20(21)22(18-6-4-3-5-7-18)27(17)15-14-26-12-10-25(2)11-13-26/h3-9,16,22H,10-15H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Competitive inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by Lineweaver burk method				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair
Pteridine reductase (Trypanosoma brucei brucei)	BDBM31798 (2-aminobenzimidazole deriv., 9) Show SMILES Nc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl2N3/c15-10-6-5-9(7-11(10)16)8-19-13-4-2-1-3-12(13)18-14(19)17/h1-7H,8H2,(H2,17,18)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	400	-36.3	n/a	n/a	n/a	n/a	n/a	6.0	23
University of Dundee					Assay Description TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...				J Med Chem 52: 4454-65 (2009) Article DOI: 10.1021/jm900414x BindingDB Entry DOI: 10.7270/Q28050X3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354257 (CHEMBL1836559) Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCNC(=O)c1ccco1)c1ccccc1 |t:1| Show InChI InChI=1S/C22H20ClN3O2/c1-15-25-19-10-9-17(23)14-18(19)21(16-6-3-2-4-7-16)26(15)12-11-24-22(27)20-8-5-13-28-20/h2-10,13-14,21H,11-12H2,1H3,(H,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Competitive inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by Lineweaver burk method				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pteridine reductase (Trypanosoma brucei brucei)	BDBM31799 (2-aminobenzimidazole deriv., 10) Show SMILES Nc1nc2cccc(Cl)c2n1Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H10Cl3N3/c15-9-5-4-8(6-11(9)17)7-20-13-10(16)2-1-3-12(13)19-14(20)18/h1-6H,7H2,(H2,18,19)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	510	-35.7	n/a	n/a	n/a	n/a	n/a	6.0	23
University of Dundee					Assay Description TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...				J Med Chem 52: 4454-65 (2009) Article DOI: 10.1021/jm900414x BindingDB Entry DOI: 10.7270/Q28050X3
					More data for this Ligand-Target Pair				3D Structure (docked)
Endochitinase (Saccharomyces cerevisiae)	BDBM50331851 (Allosamidin | CHEMBL1230997) Show SMILES CN(C)C1=N[C@@H]2[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H]3NC(C)=O)[C@@H](CO)[C@@H]2O1 |r,t:3| Show InChI InChI=1S/C25H42N4O14/c1-8(33)26-14-17(36)16(35)11(6-31)39-23(14)42-22-12(7-32)40-24(15(19(22)38)27-9(2)34)41-21-10(5-30)20-13(18(21)37)28-25(43-20)29(3)4/h10-24,30-32,35-38H,5-7H2,1-4H3,(H,26,33)(H,27,34)/t10-,11+,12+,13+,14+,15+,16+,17-,18+,19-,20-,21+,22+,23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae CTS1				Bioorg Med Chem 18: 8334-40 (2010) Article DOI: 10.1016/j.bmc.2010.09.062 BindingDB Entry DOI: 10.7270/Q2NZ87WR
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354279 (CHEMBL1836603) Show SMILES CN(C)CCCN1C(c2ccc(C)cc2)c2cc(Cl)ccc2N=C1C |c:24| Show InChI InChI=1S/C21H26ClN3/c1-15-6-8-17(9-7-15)21-19-14-18(22)10-11-20(19)23-16(2)25(21)13-5-12-24(3)4/h6-11,14,21H,5,12-13H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Mixed type inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by Lineweaver burk method				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354268 (CHEMBL1836570) Show SMILES CN(C)CC(=O)N1CCN(CCN2C(c3ccccc3)c3cc(Cl)ccc3N=C2C)CC1 |c:29| Show InChI InChI=1S/C25H32ClN5O/c1-19-27-23-10-9-21(26)17-22(23)25(20-7-5-4-6-8-20)31(19)16-13-29-11-14-30(15-12-29)24(32)18-28(2)3/h4-10,17,25H,11-16,18H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Mixed type inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by Lineweaver burk method				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354257 (CHEMBL1836559) Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCNC(=O)c1ccco1)c1ccccc1 |t:1| Show InChI InChI=1S/C22H20ClN3O2/c1-15-25-19-10-9-17(23)14-18(19)21(16-6-3-2-4-7-16)26(15)12-11-24-22(27)20-8-5-13-28-20/h2-10,13-14,21H,11-12H2,1H3,(H,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.27E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Mixed type inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by Lineweaver burk method				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Endochitinase (Saccharomyces cerevisiae)	BDBM39302 (CHEMBL228792 | MLS000101228 | N-(2-furanylmethyl)-...) Show SMILES C(Nc1ncnc2nc[nH]c12)c1ccco1 Show InChI InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae CTS1				Bioorg Med Chem 18: 8334-40 (2010) Article DOI: 10.1016/j.bmc.2010.09.062 BindingDB Entry DOI: 10.7270/Q2NZ87WR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pteridine reductase (Trypanosoma brucei brucei)	BDBM31795 (2-aminobenzimidazole deriv., 6) Show SMILES Cc1cccc(c1)-c1ccc2nc(N)[nH]c2c1 Show InChI InChI=1S/C14H13N3/c1-9-3-2-4-10(7-9)11-5-6-12-13(8-11)17-14(15)16-12/h2-8H,1H3,(H3,15,16,17)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.80E+3	-28.4	n/a	n/a	n/a	n/a	n/a	6.0	23
University of Dundee					Assay Description TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...				J Med Chem 52: 4454-65 (2009) Article DOI: 10.1021/jm900414x BindingDB Entry DOI: 10.7270/Q28050X3
					More data for this Ligand-Target Pair
Pteridine reductase (Trypanosoma brucei brucei)	BDBM31794 (2-aminobenzimidazole deriv., 4 | 5-Chloro-1H-benzo...) Show SMILES Nc1nc2ccc(Cl)cc2[nH]1 Show InChI InChI=1S/C7H6ClN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.06E+4	-28.2	n/a	n/a	n/a	n/a	n/a	6.0	23
University of Dundee					Assay Description TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...				J Med Chem 52: 4454-65 (2009) Article DOI: 10.1021/jm900414x BindingDB Entry DOI: 10.7270/Q28050X3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Endochitinase (Saccharomyces cerevisiae)	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae CTS1				Bioorg Med Chem 18: 8334-40 (2010) Article DOI: 10.1016/j.bmc.2010.09.062 BindingDB Entry DOI: 10.7270/Q2NZ87WR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pteridine reductase (Trypanosoma brucei brucei)	BDBM31791 (2-aminobenzothiazole deriv., 2) Show SMILES COC(=O)c1ccc2nc(N)sc2c1 Show InChI InChI=1S/C9H8N2O2S/c1-13-8(12)5-2-3-6-7(4-5)14-9(10)11-6/h2-4H,1H3,(H2,10,11)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.11E+4	-26.5	n/a	n/a	n/a	n/a	n/a	6.0	23
University of Dundee					Assay Description TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...				J Med Chem 52: 4454-65 (2009) Article DOI: 10.1021/jm900414x BindingDB Entry DOI: 10.7270/Q28050X3
					More data for this Ligand-Target Pair
Pteridine reductase (Trypanosoma brucei brucei)	BDBM31797 (2-aminobenzimidazole deriv., 8) Show SMILES Nc1nc2ccccc2n1CCc1ccccc1 Show InChI InChI=1S/C15H15N3/c16-15-17-13-8-4-5-9-14(13)18(15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,16,17)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.39E+4	-26.2	n/a	n/a	n/a	n/a	n/a	6.0	23
University of Dundee					Assay Description TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...				J Med Chem 52: 4454-65 (2009) Article DOI: 10.1021/jm900414x BindingDB Entry DOI: 10.7270/Q28050X3
					More data for this Ligand-Target Pair				3D Structure (docked)
Pteridine reductase (Trypanosoma brucei brucei)	BDBM31793 (2-aminobenzothiazole deriv., 3) Show SMILES Nc1nc2ccc(cc2s1)C(=O)N1CCCCC1 Show InChI InChI=1S/C13H15N3OS/c14-13-15-10-5-4-9(8-11(10)18-13)12(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H2,14,15)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.41E+5	-21.8	n/a	n/a	n/a	n/a	n/a	6.0	23
University of Dundee					Assay Description TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...				J Med Chem 52: 4454-65 (2009) Article DOI: 10.1021/jm900414x BindingDB Entry DOI: 10.7270/Q28050X3
					More data for this Ligand-Target Pair
Pteridine reductase (Trypanosoma brucei brucei)	BDBM31796 (2-aminobenzimidazole deriv., 7) Show SMILES CCn1c(N)nc2ccccc12 Show InChI InChI=1S/C9H11N3/c1-2-12-8-6-4-3-5-7(8)11-9(12)10/h3-6H,2H2,1H3,(H2,10,11)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>2.00E+5	>-21.0	n/a	n/a	n/a	n/a	n/a	6.0	23
University of Dundee					Assay Description TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...				J Med Chem 52: 4454-65 (2009) Article DOI: 10.1021/jm900414x BindingDB Entry DOI: 10.7270/Q28050X3
					More data for this Ligand-Target Pair				3D Structure (docked)
Pteridine reductase (Trypanosoma brucei brucei)	BDBM7960 (1H-1,3-benzodiazol-2-amine | 2-Aminobenzimidazole ...) Show SMILES Nc1nc2ccccc2[nH]1 Show InChI InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	2.88E+5	-20.1	n/a	n/a	n/a	n/a	n/a	6.0	23
University of Dundee					Assay Description TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...				J Med Chem 52: 4454-65 (2009) Article DOI: 10.1021/jm900414x BindingDB Entry DOI: 10.7270/Q28050X3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Endochitinase (Saccharomyces cerevisiae)	BDBM50331852 (8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DI...) Show SMILES Cn1c2nc(Cl)[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	3.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae CTS1				Bioorg Med Chem 18: 8334-40 (2010) Article DOI: 10.1016/j.bmc.2010.09.062 BindingDB Entry DOI: 10.7270/Q2NZ87WR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycylpeptide N-tetradecanoyltransferase (Leishmania major)	BDBM50364113 (CHEMBL1230468) Show SMILES Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(cc1Cl)-c1ccnc(c1)N1CCNCC1 Show InChI InChI=1S/C21H24Cl2N6O2S/c1-13-20(14(2)28(3)26-13)27-32(30,31)21-17(22)10-16(11-18(21)23)15-4-5-25-19(12-15)29-8-6-24-7-9-29/h4-5,10-12,24,27H,6-9H2,1-3H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major N-myristoyltransferase using [3H]myristoyl-CoA and GCGGSKVKPQPPQAK(biotin)-amide as substrate preincubated for 5 mins ...				J Med Chem 55: 140-52 (2012) Article DOI: 10.1021/jm201091t BindingDB Entry DOI: 10.7270/Q25Q4WK9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycylpeptide N-tetradecanoyltransferase 1 (Homo sapiens (Human))	BDBM50364113 (CHEMBL1230468) Show SMILES Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(cc1Cl)-c1ccnc(c1)N1CCNCC1 Show InChI InChI=1S/C21H24Cl2N6O2S/c1-13-20(14(2)28(3)26-13)27-32(30,31)21-17(22)10-16(11-18(21)23)15-4-5-25-19(12-15)29-8-6-24-7-9-29/h4-5,10-12,24,27H,6-9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...				J Med Chem 57: 9855-69 (2014) Article DOI: 10.1021/jm500809c BindingDB Entry DOI: 10.7270/Q2ZC84G2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycylpeptide N-tetradecanoyltransferase 2 (Homo sapiens (Human))	BDBM50364113 (CHEMBL1230468) Show SMILES Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(cc1Cl)-c1ccnc(c1)N1CCNCC1 Show InChI InChI=1S/C21H24Cl2N6O2S/c1-13-20(14(2)28(3)26-13)27-32(30,31)21-17(22)10-16(11-18(21)23)15-4-5-25-19(12-15)29-8-6-24-7-9-29/h4-5,10-12,24,27H,6-9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human N-myristoyltransferase 2 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...				J Med Chem 57: 9855-69 (2014) Article DOI: 10.1021/jm500809c BindingDB Entry DOI: 10.7270/Q2ZC84G2
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1 (Homo sapiens (Human))	BDBM50364113 (CHEMBL1230468) Show SMILES Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(cc1Cl)-c1ccnc(c1)N1CCNCC1 Show InChI InChI=1S/C21H24Cl2N6O2S/c1-13-20(14(2)28(3)26-13)27-32(30,31)21-17(22)10-16(11-18(21)23)15-4-5-25-19(12-15)29-8-6-24-7-9-29/h4-5,10-12,24,27H,6-9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human N-myristoyltransferase 1 using [3H]myristoyl-CoA and GCGGSKVKPQPPQAK(biotin)-amide as substrate preincubated for 5 mins prior sub...				J Med Chem 55: 140-52 (2012) Article DOI: 10.1021/jm201091t BindingDB Entry DOI: 10.7270/Q25Q4WK9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycylpeptide N-tetradecanoyltransferase 1 (Homo sapiens (Human))	BDBM50033418 (CHEMBL3357685) Show SMILES CC(C)Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(cc1Cl)-c1ccnc(c1)N1CCNCC1 Show InChI InChI=1S/C24H30Cl2N6O2S/c1-15(2)11-21-23(16(3)31(4)29-21)30-35(33,34)24-19(25)12-18(13-20(24)26)17-5-6-28-22(14-17)32-9-7-27-8-10-32/h5-6,12-15,27,30H,7-11H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...				J Med Chem 57: 9855-69 (2014) Article DOI: 10.1021/jm500809c BindingDB Entry DOI: 10.7270/Q2ZC84G2
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1 (Homo sapiens (Human))	BDBM50364113 (CHEMBL1230468) Show SMILES Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(cc1Cl)-c1ccnc(c1)N1CCNCC1 Show InChI InChI=1S/C21H24Cl2N6O2S/c1-13-20(14(2)28(3)26-13)27-32(30,31)21-17(22)10-16(11-18(21)23)15-4-5-25-19(12-15)29-8-6-24-7-9-29/h4-5,10-12,24,27H,6-9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method				J Med Chem 60: 9790-9806 (2017) Article DOI: 10.1021/acs.jmedchem.7b01255 BindingDB Entry DOI: 10.7270/Q25141NZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycylpeptide N-tetradecanoyltransferase 1 (Homo sapiens (Human))	BDBM50033616 (CHEMBL3358119) Show SMILES Cc1nn(C)c(C)c1N(C(F)F)S(=O)(=O)c1c(Cl)cc(CCCCC2CCNCC2)cc1Cl Show InChI InChI=1S/C22H30Cl2F2N4O2S/c1-14-20(15(2)29(3)28-14)30(22(25)26)33(31,32)21-18(23)12-17(13-19(21)24)7-5-4-6-16-8-10-27-11-9-16/h12-13,16,22,27H,4-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...				J Med Chem 57: 9855-69 (2014) Article DOI: 10.1021/jm500809c BindingDB Entry DOI: 10.7270/Q2ZC84G2
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1 (Homo sapiens (Human))	BDBM50033485 (CHEMBL3357702) Show SMILES CN(c1c(C)nn(C)c1C)S(=O)(=O)c1c(Cl)cc(cc1Cl)-c1ccnc(c1)N1CCNCC1 Show InChI InChI=1S/C22H26Cl2N6O2S/c1-14-21(15(2)28(3)27-14)29(4)33(31,32)22-18(23)11-17(12-19(22)24)16-5-6-26-20(13-16)30-9-7-25-8-10-30/h5-6,11-13,25H,7-10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB 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
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...				J Med Chem 57: 9855-69 (2014) Article DOI: 10.1021/jm500809c BindingDB Entry DOI: 10.7270/Q2ZC84G2
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1 (Homo sapiens (Human))	BDBM50033480 (CHEMBL3357697) Show SMILES CN1CCC(CCCCc2cc(Cl)c(c(Cl)c2)S(=O)(=O)Nc2c(C)nn(C)c2C)CC1 Show InChI InChI=1S/C22H32Cl2N4O2S/c1-15-21(16(2)28(4)25-15)26-31(29,30)22-19(23)13-18(14-20(22)24)8-6-5-7-17-9-11-27(3)12-10-17/h13-14,17,26H,5-12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...				J Med Chem 57: 9855-69 (2014) Article DOI: 10.1021/jm500809c BindingDB Entry DOI: 10.7270/Q2ZC84G2
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1 (Homo sapiens (Human))	BDBM50033617 (CHEMBL3358120) Show SMILES CN1CCC(CCCCc2cc(Cl)c(c(Cl)c2)S(=O)(=O)N(C(F)F)c2c(C)nn(C)c2C)CC1 Show InChI InChI=1S/C23H32Cl2F2N4O2S/c1-15-21(16(2)30(4)28-15)31(23(26)27)34(32,33)22-19(24)13-18(14-20(22)25)8-6-5-7-17-9-11-29(3)12-10-17/h13-14,17,23H,5-12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method				J Med Chem 60: 9790-9806 (2017) Article DOI: 10.1021/acs.jmedchem.7b01255 BindingDB Entry DOI: 10.7270/Q25141NZ
					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
Glycylpeptide N-tetradecanoyltransferase 1 (Homo sapiens (Human))	BDBM50033617 (CHEMBL3358120) Show SMILES CN1CCC(CCCCc2cc(Cl)c(c(Cl)c2)S(=O)(=O)N(C(F)F)c2c(C)nn(C)c2C)CC1 Show InChI InChI=1S/C23H32Cl2F2N4O2S/c1-15-21(16(2)30(4)28-15)31(23(26)27)34(32,33)22-19(24)13-18(14-20(22)25)8-6-5-7-17-9-11-29(3)12-10-17/h13-14,17,23H,5-12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...				J Med Chem 57: 9855-69 (2014) Article DOI: 10.1021/jm500809c BindingDB Entry DOI: 10.7270/Q2ZC84G2
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1 (Homo sapiens (Human))	BDBM50033618 (CHEMBL3358121) Show SMILES CN1CCC(CC1)OCCCc1cc(Cl)c(c(Cl)c1)S(=O)(=O)N(C(F)F)c1c(C)nn(C)c1C Show InChI InChI=1S/C22H30Cl2F2N4O3S/c1-14-20(15(2)29(4)27-14)30(22(25)26)34(31,32)21-18(23)12-16(13-19(21)24)6-5-11-33-17-7-9-28(3)10-8-17/h12-13,17,22H,5-11H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...				J Med Chem 57: 9855-69 (2014) Article DOI: 10.1021/jm500809c BindingDB Entry DOI: 10.7270/Q2ZC84G2
					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))	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))	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
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))	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))	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))	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))	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))	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))	BDBM50025648 (CHEMBL3335149) Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1cc2ccccc2o1 |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))	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))	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))	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
Glycylpeptide N-tetradecanoyltransferase 1 (Homo sapiens (Human))	BDBM50033482 (CHEMBL3357699) Show SMILES Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(CCCCC2CCNCC2)cc1Cl Show InChI InChI=1S/C21H30Cl2N4O2S/c1-14-20(15(2)27(3)25-14)26-30(28,29)21-18(22)12-17(13-19(21)23)7-5-4-6-16-8-10-24-11-9-16/h12-13,16,24,26H,4-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...				J Med Chem 57: 9855-69 (2014) Article DOI: 10.1021/jm500809c BindingDB Entry DOI: 10.7270/Q2ZC84G2
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1 (Homo sapiens (Human))	BDBM50364135 (CHEMBL1951295) Show SMILES CN1CCN(Cc2cccc(c2)-c2cc(Cl)c(c(Cl)c2)S(=O)(=O)Nc2c(C)nn(C)c2C)CC1 Show InChI InChI=1S/C24H29Cl2N5O2S/c1-16-23(17(2)30(4)27-16)28-34(32,33)24-21(25)13-20(14-22(24)26)19-7-5-6-18(12-19)15-31-10-8-29(3)9-11-31/h5-7,12-14,28H,8-11,15H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human N-myristoyltransferase 1 using [3H]myristoyl-CoA and GCGGSKVKPQPPQAK(biotin)-amide as substrate preincubated for 5 mins prior sub...				J Med Chem 55: 140-52 (2012) Article DOI: 10.1021/jm201091t BindingDB Entry DOI: 10.7270/Q25Q4WK9
					More data for this Ligand-Target Pair

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