Compile Data Set for Download or QSAR

Found 51 hits with Last Name = 'fairweather' and Initial = 'n'   

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
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13433 (N-[(3S)-2-[(tert-butoxy)carbonyl]-3-(methylcarbamo...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C16H23N3O6S/c1-16(2,3)25-15(21)19-9-11-7-12(18-26(22,23)24)6-5-10(11)8-13(19)14(20)17-4/h5-7,13,18H,8-9H2,1-4H3,(H,17,20)(H,22,23,24)/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	2.40E+4	-26.1	n/a	n/a	n/a	n/a	n/a	7.0	22
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13529 (N-(1-methyl-3-phenyl-1H-pyrazol-5-yl)sulfamic acid...) Show SMILES Cn1nc(cc1NS(O)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C10H11N3O3S/c1-13-10(12-17(14,15)16)7-9(11-13)8-5-3-2-4-6-8/h2-7,12H,1H3,(H,14,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank KEGG MMDB PC cid PC sid PDB UniChem	DrugBank MMDB PDB Article PubMed	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50189954 (2-(3,4-dimethylphenyl)-3-(2-(4-methoxycyclohexa-2,...) Show SMILES COC1=CCC(CCN2C(SCC2=O)c2ccc(C)c(C)c2)C=C1 |c:24,t:2| Show InChI InChI=1S/C20H25NO2S/c1-14-4-7-17(12-15(14)2)20-21(19(22)13-24-20)11-10-16-5-8-18(23-3)9-6-16/h4-5,7-9,12,16,20H,6,10-11,13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	137	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Blockade of Kv1.5 channel expressed in LTK cells by patch clamp method				Bioorg Med Chem Lett 16: 4629-32 (2006) Article DOI: 10.1016/j.bmcl.2006.06.001 BindingDB Entry DOI: 10.7270/Q2HQ3ZHZ
					More data for this Ligand-Target Pair
Methionine aminopeptidase (Escherichia coli (strain K12))	BDBM17853 (3,5-Pyrazolediamine Inhibitor, 3 | 3-imino-4-[(E)-...) Show SMILES FC(F)(F)c1cccc(NN=c2c(=N)nnc2=N)c1 |(.72,8.79,;2.05,8.02,;2.82,9.36,;3.38,7.25,;1.28,6.69,;2.05,5.36,;1.28,4.02,;-.26,4.02,;-1.03,5.36,;-2.57,5.36,;-3.34,4.02,;-4.88,4.02,;-6.13,4.93,;-6.13,6.47,;-7.37,4.02,;-6.9,2.56,;-5.35,2.56,;-4.45,1.31,;-.26,6.69,)| Show InChI InChI=1S/C10H7F3N6/c11-10(12,13)5-2-1-3-6(4-5)16-17-7-8(14)18-19-9(7)15/h1-4,14-16H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	7.5	30
The Procter & Gamble Pharmaceuticals					Assay Description The inhibitory activity of a compound toward EcMAP was measured by incubating the compound at various concentrations in the presence of the enzyme an...				Proteins 66: 538-46 (2007) Article DOI: 10.1002/prot.21207 BindingDB Entry DOI: 10.7270/Q2MK6B5Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Methionine aminopeptidase (Escherichia coli (strain K12))	BDBM17854 (3,5-Pyrazolediamine Inhibitor, 4 | 3-imino-4-[(E)-...) Show SMILES FC(F)(F)c1ccccc1NN=c1c(=N)nnc1=N |(-1.8,9.36,;-1.03,8.02,;.3,8.79,;-2.36,7.25,;-.26,6.69,;1.28,6.69,;2.05,5.36,;1.28,4.02,;-.26,4.02,;-1.03,5.36,;-2.57,5.36,;-3.34,4.02,;-4.88,4.02,;-6.13,4.93,;-6.13,6.47,;-7.37,4.02,;-6.9,2.56,;-5.35,2.56,;-4.45,1.31,)| Show InChI InChI=1S/C10H7F3N6/c11-10(12,13)5-3-1-2-4-6(5)16-17-7-8(14)18-19-9(7)15/h1-4,14-16H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	7.5	30
The Procter & Gamble Pharmaceuticals					Assay Description The inhibitory activity of a compound toward EcMAP was measured by incubating the compound at various concentrations in the presence of the enzyme an...				Proteins 66: 538-46 (2007) Article DOI: 10.1002/prot.21207 BindingDB Entry DOI: 10.7270/Q2MK6B5Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50189955 ((2-(4-methoxyphenethyl)-2H-1,2,3-triazol-4-yl)(3,4...) Show SMILES COc1ccc(CCn2ncc(n2)C(=O)c2ccc(C)c(C)c2)cc1 Show InChI InChI=1S/C20H21N3O2/c1-14-4-7-17(12-15(14)2)20(24)19-13-21-23(22-19)11-10-16-5-8-18(25-3)9-6-16/h4-9,12-13H,10-11H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	294	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Blockade of Kv1.5 channel expressed in LTK cells by patch clamp method				Bioorg Med Chem Lett 16: 4629-32 (2006) Article DOI: 10.1016/j.bmcl.2006.06.001 BindingDB Entry DOI: 10.7270/Q2HQ3ZHZ
					More data for this Ligand-Target Pair
Methionine aminopeptidase (Escherichia coli (strain K12))	BDBM17855 (3,5-Pyrazolediamine Inhibitor, 5 | 4-[(E)-2-(3-flu...) Show SMILES Fc1cccc(NN=c2c(=N)nnc2=N)c1 |(2.05,8.02,;1.28,6.69,;2.05,5.36,;1.28,4.02,;-.26,4.02,;-1.03,5.36,;-2.57,5.36,;-3.34,4.02,;-4.88,4.02,;-6.13,4.93,;-6.13,6.47,;-7.37,4.02,;-6.9,2.56,;-5.35,2.56,;-4.45,1.31,;-.26,6.69,)| Show InChI InChI=1S/C9H7FN6/c10-5-2-1-3-6(4-5)13-14-7-8(11)15-16-9(7)12/h1-4,11-13H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	7.5	30
The Procter & Gamble Pharmaceuticals					Assay Description The inhibitory activity of a compound toward EcMAP was measured by incubating the compound at various concentrations in the presence of the enzyme an...				Proteins 66: 538-46 (2007) Article DOI: 10.1002/prot.21207 BindingDB Entry DOI: 10.7270/Q2MK6B5Q
					More data for this Ligand-Target Pair
Methionine aminopeptidase (Escherichia coli (strain K12))	BDBM17856 (3,5-Pyrazolediamine Inhibitor, 6 | 4-[(E)-2-(3-chl...) Show SMILES Cc1c(Cl)cccc1NN=c1c(=N)nnc1=N |(-1.03,8.02,;-.26,6.69,;1.28,6.69,;2.05,8.02,;2.05,5.36,;1.28,4.02,;-.26,4.02,;-1.03,5.36,;-2.57,5.36,;-3.34,4.02,;-4.88,4.02,;-6.13,4.93,;-6.13,6.47,;-7.37,4.02,;-6.9,2.56,;-5.35,2.56,;-4.45,1.31,)| Show InChI InChI=1S/C10H9ClN6/c1-5-6(11)3-2-4-7(5)14-15-8-9(12)16-17-10(8)13/h2-4,12-14H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	7.5	30
The Procter & Gamble Pharmaceuticals					Assay Description The inhibitory activity of a compound toward EcMAP was measured by incubating the compound at various concentrations in the presence of the enzyme an...				Proteins 66: 538-46 (2007) Article DOI: 10.1002/prot.21207 BindingDB Entry DOI: 10.7270/Q2MK6B5Q
					More data for this Ligand-Target Pair
Methionine aminopeptidase (Escherichia coli (strain K12))	BDBM17857 (3,5-Pyrazolediamine Inhibitor, 7 | 4-[(E)-2-(4-flu...) Show SMILES Fc1ccc(NN=c2c(=N)nnc2=N)cc1 |(3.59,5.36,;2.05,5.36,;1.28,6.69,;-.26,6.69,;-1.03,5.36,;-2.57,5.36,;-3.34,4.02,;-4.88,4.02,;-6.13,4.93,;-6.13,6.47,;-7.37,4.02,;-6.9,2.56,;-5.35,2.56,;-4.45,1.31,;-.26,4.02,;1.28,4.02,)| Show InChI InChI=1S/C9H7FN6/c10-5-1-3-6(4-2-5)13-14-7-8(11)15-16-9(7)12/h1-4,11-13H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	7.5	30
The Procter & Gamble Pharmaceuticals					Assay Description The inhibitory activity of a compound toward EcMAP was measured by incubating the compound at various concentrations in the presence of the enzyme an...				Proteins 66: 538-46 (2007) Article DOI: 10.1002/prot.21207 BindingDB Entry DOI: 10.7270/Q2MK6B5Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Methionine aminopeptidase (Escherichia coli (strain K12))	BDBM17858 (3,5-Pyrazolediamine Inhibitor, 8 | 4-[(E)-2-(4-chl...) Show SMILES Clc1ccc(NN=c2c(=N)nnc2=N)cc1 |(3.59,5.36,;2.05,5.36,;1.28,6.69,;-.26,6.69,;-1.03,5.36,;-2.57,5.36,;-3.34,4.02,;-4.88,4.02,;-6.13,4.93,;-6.13,6.47,;-7.37,4.02,;-6.9,2.56,;-5.35,2.56,;-4.45,1.31,;-.26,4.02,;1.28,4.02,)| Show InChI InChI=1S/C9H7ClN6/c10-5-1-3-6(4-2-5)13-14-7-8(11)15-16-9(7)12/h1-4,11-13H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	7.5	30
The Procter & Gamble Pharmaceuticals					Assay Description The inhibitory activity of a compound toward EcMAP was measured by incubating the compound at various concentrations in the presence of the enzyme an...				Proteins 66: 538-46 (2007) Article DOI: 10.1002/prot.21207 BindingDB Entry DOI: 10.7270/Q2MK6B5Q
					More data for this Ligand-Target Pair
Methionine aminopeptidase (Escherichia coli (strain K12))	BDBM17859 (3,5-Pyrazolediamine Inhibitor, 9 | 3-imino-4-[(E)-...) Show SMILES COc1ccc(NN=c2c(=N)nnc2=N)cc1 |(4.36,4.02,;3.59,5.36,;2.05,5.36,;1.28,6.69,;-.26,6.69,;-1.03,5.36,;-2.57,5.36,;-3.34,4.02,;-4.88,4.02,;-6.13,4.93,;-6.13,6.47,;-7.37,4.02,;-6.9,2.56,;-5.35,2.56,;-4.45,1.31,;-.26,4.02,;1.28,4.02,)| Show InChI InChI=1S/C10H10N6O/c1-17-7-4-2-6(3-5-7)13-14-8-9(11)15-16-10(8)12/h2-5,11-13H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	7.5	30
The Procter & Gamble Pharmaceuticals					Assay Description The inhibitory activity of a compound toward EcMAP was measured by incubating the compound at various concentrations in the presence of the enzyme an...				Proteins 66: 538-46 (2007) Article DOI: 10.1002/prot.21207 BindingDB Entry DOI: 10.7270/Q2MK6B5Q
					More data for this Ligand-Target Pair
Methionine aminopeptidase (Escherichia coli (strain K12))	BDBM17863 (Amino-Alcohol Inhibitor, 12 | methyl 2-[(2S)-2-[(2...) Show SMILES COC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](O)[C@H](N)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C16H20F3N3O5/c1-8(14(25)21-7-11(23)27-2)22-15(26)13(24)12(20)9-3-5-10(6-4-9)16(17,18)19/h3-6,8,12-13,24H,7,20H2,1-2H3,(H,21,25)(H,22,26)/t8-,12+,13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	7.5	30
The Procter & Gamble Pharmaceuticals					Assay Description The inhibitory activity of a compound toward EcMAP was measured by incubating the compound at various concentrations in the presence of the enzyme an...				Proteins 66: 538-46 (2007) Article DOI: 10.1002/prot.21207 BindingDB Entry DOI: 10.7270/Q2MK6B5Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Methionine aminopeptidase (Escherichia coli (strain K12))	BDBM17860 (3,5-Pyrazolediamine Inhibitor, 2 | 3-[(E)-2-(5-ami...) Show SMILES OC(=O)c1cccc(NN=c2c(=N)nnc2=N)c1 |(1.28,9.36,;2.05,8.02,;3.59,8.02,;1.28,6.69,;2.05,5.36,;1.28,4.02,;-.26,4.02,;-1.03,5.36,;-2.57,5.36,;-3.34,4.02,;-4.88,4.02,;-6.13,4.93,;-6.13,6.47,;-7.37,4.02,;-6.9,2.56,;-5.35,2.56,;-4.45,1.31,;-.26,6.69,)| Show InChI InChI=1S/C10H8N6O2/c11-8-7(9(12)16-15-8)14-13-6-3-1-2-5(4-6)10(17)18/h1-4,11-13H,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a	7.5	30
The Procter & Gamble Pharmaceuticals					Assay Description The inhibitory activity of a compound toward EcMAP was measured by incubating the compound at various concentrations in the presence of the enzyme an...				Proteins 66: 538-46 (2007) Article DOI: 10.1002/prot.21207 BindingDB Entry DOI: 10.7270/Q2MK6B5Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Methionine aminopeptidase (Escherichia coli (strain K12))	BDBM17861 (3,5-Pyrazolediamine Inhibitor, 10 | 3-[(E)-2-(5-am...) Show SMILES OC(=O)c1cccc(NN=c2c(=N)nnc2=N)c1O |(1.28,9.36,;2.05,8.02,;3.59,8.02,;1.28,6.69,;2.05,5.36,;1.28,4.02,;-.26,4.02,;-1.03,5.36,;-2.57,5.36,;-3.34,4.02,;-4.88,4.02,;-6.13,4.93,;-6.13,6.47,;-7.37,4.02,;-6.9,2.56,;-5.35,2.56,;-4.45,1.31,;-.26,6.69,;-1.03,8.02,)| Show InChI InChI=1S/C10H8N6O3/c11-8-6(9(12)16-15-8)14-13-5-3-1-2-4(7(5)17)10(18)19/h1-3,11-13,17H,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	7.5	30
The Procter & Gamble Pharmaceuticals					Assay Description The inhibitory activity of a compound toward EcMAP was measured by incubating the compound at various concentrations in the presence of the enzyme an...				Proteins 66: 538-46 (2007) Article DOI: 10.1002/prot.21207 BindingDB Entry DOI: 10.7270/Q2MK6B5Q
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13462 (3-{3-[(3S)-3-(methylcarbamoyl)-7-(sulfoamino)-1,2,...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)CCc1cccc(c1)C(O)=O |r| Show InChI InChI=1S/C21H23N3O7S/c1-22-20(26)18-11-14-6-7-17(23-32(29,30)31)10-16(14)12-24(18)19(25)8-5-13-3-2-4-15(9-13)21(27)28/h2-4,6-7,9-10,18,23H,5,8,11-12H2,1H3,(H,22,26)(H,27,28)(H,29,30,31)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Methionine aminopeptidase (Escherichia coli (strain K12))	BDBM17864 (Amino-Alcohol Inhibitor, 13 | methyl (2S)-2-[(2S)-...) Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](O)[C@H](N)c1ccc(cc1)C(C)C |r| Show InChI InChI=1S/C22H35N3O5/c1-12(2)11-17(22(29)30-6)25-20(27)14(5)24-21(28)19(26)18(23)16-9-7-15(8-10-16)13(3)4/h7-10,12-14,17-19,26H,11,23H2,1-6H3,(H,24,28)(H,25,27)/t14-,17-,18+,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	7.5	30
The Procter & Gamble Pharmaceuticals					Assay Description The inhibitory activity of a compound toward EcMAP was measured by incubating the compound at various concentrations in the presence of the enzyme an...				Proteins 66: 538-46 (2007) Article DOI: 10.1002/prot.21207 BindingDB Entry DOI: 10.7270/Q2MK6B5Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13461 (N-[(3S)-3-(methylcarbamoyl)-2-{3-[3-(sulfoamino)ph...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)CCc1cccc(NS(O)(=O)=O)c1 |r| Show InChI InChI=1S/C20H24N4O8S2/c1-21-20(26)18-11-14-6-7-17(23-34(30,31)32)10-15(14)12-24(18)19(25)8-5-13-3-2-4-16(9-13)22-33(27,28)29/h2-4,6-7,9-10,18,22-23H,5,8,11-12H2,1H3,(H,21,26)(H,27,28,29)(H,30,31,32)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13452 (N-[(3S)-2-[(tert-butoxy)carbonyl]-3-(3-methyl-1,2,...) Show SMILES Cc1noc(n1)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C17H22N4O6S/c1-10-18-15(27-19-10)14-8-11-5-6-13(20-28(23,24)25)7-12(11)9-21(14)16(22)26-17(2,3)4/h5-7,14,20H,8-9H2,1-4H3,(H,23,24,25)/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair
Methionine aminopeptidase (Escherichia coli (strain K12))	BDBM17865 (Amino-Alcohol Inhibitor, 14 | methyl (2S)-2-[(2S)-...) Show SMILES CCCC[C@@H](N)[C@H](O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)OC |r| Show InChI InChI=1S/C17H33N3O6/c1-5-6-7-11(18)14(22)16(24)20-13(9-21)15(23)19-12(8-10(2)3)17(25)26-4/h10-14,21-22H,5-9,18H2,1-4H3,(H,19,23)(H,20,24)/t11-,12+,13+,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	7.5	30
The Procter & Gamble Pharmaceuticals					Assay Description The inhibitory activity of a compound toward EcMAP was measured by incubating the compound at various concentrations in the presence of the enzyme an...				Proteins 66: 538-46 (2007) Article DOI: 10.1002/prot.21207 BindingDB Entry DOI: 10.7270/Q2MK6B5Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13451 (N-[(3S)-2-[(tert-butoxy)carbonyl]-3-[(2-methylprop...) Show SMILES CC(C)COC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C19H28N2O7S/c1-12(2)11-27-17(22)16-9-13-6-7-15(20-29(24,25)26)8-14(13)10-21(16)18(23)28-19(3,4)5/h6-8,12,16,20H,9-11H2,1-5H3,(H,24,25,26)/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13450 (N-[(3S)-2-[(tert-butoxy)carbonyl]-3-(methoxycarbon...) Show SMILES COC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C16H22N2O7S/c1-16(2,3)25-15(20)18-9-11-7-12(17-26(21,22)23)6-5-10(11)8-13(18)14(19)24-4/h5-7,13,17H,8-9H2,1-4H3,(H,21,22,23)/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair				3D Structure (docked)
Methionine aminopeptidase (Escherichia coli (strain K12))	BDBM17862 (({4-[(E)-2-(5-amino-3-imino-3H-pyrazol-4-yl)diazen...) Show SMILES NC(N)=NNS(=O)(=O)c1ccc(NN=c2c(=N)nnc2=N)cc1 |(5.9,6.69,;6.67,5.36,;8.21,5.36,;5.9,4.02,;4.36,4.02,;3.59,5.36,;3.19,6.84,;5.08,5.75,;2.05,5.36,;1.28,6.69,;-.26,6.69,;-1.03,5.36,;-2.57,5.36,;-3.34,4.02,;-4.88,4.02,;-6.13,4.93,;-6.13,6.47,;-7.37,4.02,;-6.9,2.56,;-5.35,2.56,;-4.45,1.31,;-.26,4.02,;1.28,4.02,)| Show InChI InChI=1S/C10H12N10O2S/c11-8-7(9(12)18-17-8)16-15-5-1-3-6(4-2-5)23(21,22)20-19-10(13)14/h1-4,11-12,15,20H,(H4,13,14,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	7.5	30
The Procter & Gamble Pharmaceuticals					Assay Description The inhibitory activity of a compound toward EcMAP was measured by incubating the compound at various concentrations in the presence of the enzyme an...				Proteins 66: 538-46 (2007) Article DOI: 10.1002/prot.21207 BindingDB Entry DOI: 10.7270/Q2MK6B5Q
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13446 (Tetrahydroisoquinoline (TIQ) deriv. 8m | ammonium ...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)C=Cc1coc2ccccc12 |r,w:21.22| Show InChI InChI=1S/C22H21N3O6S/c1-23-22(27)19-11-14-6-8-17(24-32(28,29)30)10-16(14)12-25(19)21(26)9-7-15-13-31-20-5-3-2-4-18(15)20/h2-10,13,19,24H,11-12H2,1H3,(H,23,27)(H,28,29,30)/p-1/t19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.49E+4	n/a	n/a	n/a	n/a	7.0	22
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair
Methionine aminopeptidase (Escherichia coli (strain K12))	BDBM17866 (Amino-Alcohol Inhibitor, 15 | methyl (2S)-2-[(2S)-...) Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](O)[C@H](N)c1ccc(C)cc1 |r| Show InChI InChI=1S/C20H31N3O5/c1-11(2)10-15(20(27)28-5)23-18(25)13(4)22-19(26)17(24)16(21)14-8-6-12(3)7-9-14/h6-9,11,13,15-17,24H,10,21H2,1-5H3,(H,22,26)(H,23,25)/t13-,15-,16+,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	7.5	30
The Procter & Gamble Pharmaceuticals					Assay Description The inhibitory activity of a compound toward EcMAP was measured by incubating the compound at various concentrations in the presence of the enzyme an...				Proteins 66: 538-46 (2007) Article DOI: 10.1002/prot.21207 BindingDB Entry DOI: 10.7270/Q2MK6B5Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13464 (N-(3-{3-oxo-3-[7-(sulfoamino)-1,2,3,4-tetrahydrois...) Show SMILES OS(=O)(=O)Nc1cccc(CCC(=O)N2CCc3ccc(NS(O)(=O)=O)cc3C2)c1 Show InChI InChI=1S/C18H21N3O7S2/c22-18(7-4-13-2-1-3-16(10-13)19-29(23,24)25)21-9-8-14-5-6-17(11-15(14)12-21)20-30(26,27)28/h1-3,5-6,10-11,19-20H,4,7-9,12H2,(H,23,24,25)(H,26,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13463 (N-{3-[2-({[3-(sulfoamino)phenyl]methyl}carbamoyl)e...) Show SMILES OS(=O)(=O)Nc1cccc(CCC(=O)NCc2cccc(NS(O)(=O)=O)c2)c1 Show InChI InChI=1S/C16H19N3O7S2/c20-16(8-7-12-3-1-5-14(9-12)18-27(21,22)23)17-11-13-4-2-6-15(10-13)19-28(24,25)26/h1-6,9-10,18-19H,7-8,11H2,(H,17,20)(H,21,22,23)(H,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	n/a	n/a	3.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13445 (Tetrahydroisoquinoline (TIQ) deriv. 8l | ammonium ...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)CCc1coc2ccccc12 |r| Show InChI InChI=1S/C22H23N3O6S/c1-23-22(27)19-11-14-6-8-17(24-32(28,29)30)10-16(14)12-25(19)21(26)9-7-15-13-31-20-5-3-2-4-18(15)20/h2-6,8,10,13,19,24H,7,9,11-12H2,1H3,(H,23,27)(H,28,29,30)/p-1/t19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.67E+4	n/a	n/a	n/a	n/a	7.0	22
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13444 (Tetrahydroisoquinoline (TIQ) deriv. 8k | ammonium ...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C19H21N3O6S/c1-20-18(23)17-10-14-7-8-16(21-29(25,26)27)9-15(14)11-22(17)19(24)28-12-13-5-3-2-4-6-13/h2-9,17,21H,10-12H2,1H3,(H,20,23)(H,25,26,27)/p-1/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	7.0	22
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13431 (CHEMBL204336 | N-{4-[(2S)-2-{[(tert-butoxy)carbony...) Show SMILES CNC(=O)[C@H](Cc1ccc(NS(O)(=O)=O)cc1)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C15H23N3O6S/c1-15(2,3)24-14(20)17-12(13(19)16-4)9-10-5-7-11(8-6-10)18-25(21,22)23/h5-8,12,18H,9H2,1-4H3,(H,16,19)(H,17,20)(H,21,22,23)/t12-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.96E+4	n/a	n/a	n/a	n/a	7.0	22
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13433 (N-[(3S)-2-[(tert-butoxy)carbonyl]-3-(methylcarbamo...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C16H23N3O6S/c1-16(2,3)25-15(21)19-9-11-7-12(18-26(22,23)24)6-5-10(11)8-13(19)14(20)17-4/h5-7,13,18H,8-9H2,1-4H3,(H,17,20)(H,22,23,24)/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	4.25E+4	n/a	n/a	n/a	n/a	7.0	22
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13449 (N-[(3S)-2-[(tert-butoxy)carbonyl]-3-[(2-phenylethy...) Show SMILES CC(C)(C)OC(=O)N1Cc2cc(NS(O)(=O)=O)ccc2C[C@H]1C(=O)NCCc1ccccc1 |r| Show InChI InChI=1S/C23H29N3O6S/c1-23(2,3)32-22(28)26-15-18-13-19(25-33(29,30)31)10-9-17(18)14-20(26)21(27)24-12-11-16-7-5-4-6-8-16/h4-10,13,20,25H,11-12,14-15H2,1-3H3,(H,24,27)(H,29,30,31)/t20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13443 (Tetrahydroisoquinoline (TIQ) deriv. 8j | ammonium ...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)CCc1ccccc1 |r| Show InChI InChI=1S/C20H23N3O5S/c1-21-20(25)18-12-15-8-9-17(22-29(26,27)28)11-16(15)13-23(18)19(24)10-7-14-5-3-2-4-6-14/h2-6,8-9,11,18,22H,7,10,12-13H2,1H3,(H,21,25)(H,26,27,28)/p-1/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.44E+4	n/a	n/a	n/a	n/a	7.0	22
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13460 (N-[(3S)-2-[3-(3-hydroxyphenyl)propanoyl]-3-(methyl...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)CCc1cccc(O)c1 |r| Show InChI InChI=1S/C20H23N3O6S/c1-21-20(26)18-11-14-6-7-16(22-30(27,28)29)10-15(14)12-23(18)19(25)8-5-13-3-2-4-17(24)9-13/h2-4,6-7,9-10,18,22,24H,5,8,11-12H2,1H3,(H,21,26)(H,27,28,29)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13442 (Tetrahydroisoquinoline (TIQ) deriv. 8i | ammonium ...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)CCOc1ccccc1 |r| Show InChI InChI=1S/C20H23N3O6S/c1-21-20(25)18-12-14-7-8-16(22-30(26,27)28)11-15(14)13-23(18)19(24)9-10-29-17-5-3-2-4-6-17/h2-8,11,18,22H,9-10,12-13H2,1H3,(H,21,25)(H,26,27,28)/p-1/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.36E+4	n/a	n/a	n/a	n/a	7.0	22
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13459 (N-[(3S)-2-{2-[3-hydroxy-2-(methoxycarbonyl)phenoxy...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)COc1cccc(O)c1C(=O)OC |r| Show InChI InChI=1S/C21H23N3O9S/c1-22-20(27)15-9-12-6-7-14(23-34(29,30)31)8-13(12)10-24(15)18(26)11-33-17-5-3-4-16(25)19(17)21(28)32-2/h3-8,15,23,25H,9-11H2,1-2H3,(H,22,27)(H,29,30,31)/t15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13441 (Tetrahydroisoquinoline (TIQ) deriv. 8h | ammonium ...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)COc1ccccc1 |r| Show InChI InChI=1S/C19H21N3O6S/c1-20-19(24)17-10-13-7-8-15(21-29(25,26)27)9-14(13)11-22(17)18(23)12-28-16-5-3-2-4-6-16/h2-9,17,21H,10-12H2,1H3,(H,20,24)(H,25,26,27)/p-1/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.53E+4	n/a	n/a	n/a	n/a	7.0	22
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13458 (N-[(3S)-2-[3-(3-chlorophenyl)propanoyl]-3-(methylc...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)CCc1cccc(Cl)c1 |r| Show InChI InChI=1S/C20H22ClN3O5S/c1-22-20(26)18-11-14-6-7-17(23-30(27,28)29)10-15(14)12-24(18)19(25)8-5-13-3-2-4-16(21)9-13/h2-4,6-7,9-10,18,23H,5,8,11-12H2,1H3,(H,22,26)(H,27,28,29)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+5	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13448 (N-[(3S)-3-(benzylcarbamoyl)-2-[(tert-butoxy)carbon...) Show SMILES CC(C)(C)OC(=O)N1Cc2cc(NS(O)(=O)=O)ccc2C[C@H]1C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C22H27N3O6S/c1-22(2,3)31-21(27)25-14-17-11-18(24-32(28,29)30)10-9-16(17)12-19(25)20(26)23-13-15-7-5-4-6-8-15/h4-11,19,24H,12-14H2,1-3H3,(H,23,26)(H,28,29,30)/t19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13440 (Tetrahydroisoquinoline (TIQ) deriv. 8g | ammonium ...) Show SMILES CNC(=O)[C@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C16H23N3O6S/c1-16(2,3)25-15(21)19-9-11-7-12(18-26(22,23)24)6-5-10(11)8-13(19)14(20)17-4/h5-7,13,18H,8-9H2,1-4H3,(H,17,20)(H,22,23,24)/p-1/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+5	n/a	n/a	n/a	n/a	7.0	22
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13457 (N-[(3S)-3-(methylcarbamoyl)-2-{3-[3-(trifluorometh...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)CCc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F3N3O5S/c1-25-20(29)18-11-14-6-7-17(26-33(30,31)32)10-15(14)12-27(18)19(28)8-5-13-3-2-4-16(9-13)21(22,23)24/h2-4,6-7,9-10,18,26H,5,8,11-12H2,1H3,(H,25,29)(H,30,31,32)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.46E+5	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13439 (Tetrahydroisoquinoline (TIQ) deriv. 8f | ammonium ...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)CCCCc1ccccc1 |r| Show InChI InChI=1S/C22H27N3O5S/c1-23-22(27)20-14-17-11-12-19(24-31(28,29)30)13-18(17)15-25(20)21(26)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,11-13,20,24H,5-6,9-10,14-15H2,1H3,(H,23,27)(H,28,29,30)/p-1/t20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.48E+5	n/a	n/a	n/a	n/a	7.0	22
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13438 (Tetrahydroisoquinoline (TIQ) deriv. 8e | ammonium ...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)CCC(O)=O |r| Show InChI InChI=1S/C15H19N3O7S/c1-16-15(22)12-7-9-2-3-11(17-26(23,24)25)6-10(9)8-18(12)13(19)4-5-14(20)21/h2-3,6,12,17H,4-5,7-8H2,1H3,(H,16,22)(H,20,21)(H,23,24,25)/p-1/t12-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.54E+5	n/a	n/a	n/a	n/a	7.0	22
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13437 (Tetrahydroisoquinoline (TIQ) deriv. 8d | ammonium ...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C19H22N4O5S/c1-20-18(24)17-10-14-7-8-16(22-29(26,27)28)9-15(14)12-23(17)19(25)21-11-13-5-3-2-4-6-13/h2-9,17,22H,10-12H2,1H3,(H,20,24)(H,21,25)(H,26,27,28)/p-1/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.64E+5	n/a	n/a	n/a	n/a	7.0	22
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13456 (N-[(3S)-2-{3-[3-methanesulfonamido-5-(trifluoromet...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)CCc1cc(NS(C)(=O)=O)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H25F3N4O7S2/c1-26-21(31)19-10-14-4-5-17(28-38(34,35)36)9-15(14)12-29(19)20(30)6-3-13-7-16(22(23,24)25)11-18(8-13)27-37(2,32)33/h4-5,7-9,11,19,27-28H,3,6,10,12H2,1-2H3,(H,26,31)(H,34,35,36)/t19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.84E+5	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13455 (N-[(3S)-3-(methylcarbamoyl)-2-[3-(4-methylphenyl)p...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)CCc1ccc(C)cc1 |r| Show InChI InChI=1S/C21H25N3O5S/c1-14-3-5-15(6-4-14)7-10-20(25)24-13-17-11-18(23-30(27,28)29)9-8-16(17)12-19(24)21(26)22-2/h3-6,8-9,11,19,23H,7,10,12-13H2,1-2H3,(H,22,26)(H,27,28,29)/t19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.98E+5	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13454 (N-[(3S)-3-(methylcarbamoyl)-2-{3-[4-(trifluorometh...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)CCc1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F3N3O5S/c1-25-20(29)18-11-14-5-8-17(26-33(30,31)32)10-15(14)12-27(18)19(28)9-4-13-2-6-16(7-3-13)21(22,23)24/h2-3,5-8,10,18,26H,4,9,11-12H2,1H3,(H,25,29)(H,30,31,32)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.25E+5	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13453 (N-[(3S)-2-[3-(4-methoxyphenyl)propanoyl]-3-(methyl...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)CCc1ccc(OC)cc1 |r| Show InChI InChI=1S/C21H25N3O6S/c1-22-21(26)19-12-15-6-7-17(23-31(27,28)29)11-16(15)13-24(19)20(25)10-5-14-3-8-18(30-2)9-4-14/h3-4,6-9,11,19,23H,5,10,12-13H2,1-2H3,(H,22,26)(H,27,28,29)/t19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.42E+5	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13436 (Tetrahydroisoquinoline (TIQ) deriv. 8c | ammonium ...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)CCCc1ccccc1 |r| Show InChI InChI=1S/C21H25N3O5S/c1-22-21(26)19-13-16-10-11-18(23-30(27,28)29)12-17(16)14-24(19)20(25)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-12,19,23H,5,8-9,13-14H2,1H3,(H,22,26)(H,27,28,29)/p-1/t19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.71E+5	n/a	n/a	n/a	n/a	7.0	22
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13435 (Tetrahydroisoquinoline (TIQ) deriv. 8b | ammonium ...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)c1ccccc1 |r| Show InChI InChI=1S/C18H19N3O5S/c1-19-17(22)16-10-13-7-8-15(20-27(24,25)26)9-14(13)11-21(16)18(23)12-5-3-2-4-6-12/h2-9,16,20H,10-11H2,1H3,(H,19,22)(H,24,25,26)/p-1/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.86E+5	n/a	n/a	n/a	n/a	7.0	22
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13434 (Tetrahydroisoquinoline (TIQ) deriv. 8a | ammonium ...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C25H32N4O7S/c1-25(2,3)36-23(31)20(12-16-8-6-5-7-9-16)27-24(32)29-15-18-13-19(28-37(33,34)35)11-10-17(18)14-21(29)22(30)26-4/h5-11,13,20-21,28H,12,14-15H2,1-4H3,(H,26,30)(H,27,32)(H,33,34,35)/p-1/t20-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	7.0	22
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair

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