Compile Data Set for Download or QSAR

Found 94 hits with Last Name = 'howard' and Initial = 'bw'   

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)
Receptor-type tyrosine-protein phosphatase beta (Homo sapiens (Human))	BDBM50188792 (CHEMBL213750 | ammonium N-{4-[3-methoxy-2-(methoxy...) Show SMILES COC(=O)C(Cc1ccc(NS(O)(=O)=O)cc1)(Cc1ccc(NS([O-])(=O)=O)cc1)C(=O)OC Show InChI InChI=1S/C19H22N2O10S2/c1-30-17(22)19(18(23)31-2,11-13-3-7-15(8-4-13)20-32(24,25)26)12-14-5-9-16(10-6-14)21-33(27,28)29/h3-10,20-21H,11-12H2,1-2H3,(H,24,25,26)(H,27,28,29)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of HPTPbeta				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta (Homo sapiens (Human))	BDBM50188795 (CHEMBL386550 | ammonium N-{4-[2,2-bis(3-methyl-1,2...) Show SMILES Cc1noc(n1)C(CCCc1ccccc1)(Cc1ccc(NS([O-])(=O)=O)cc1)c1nc(C)no1 Show InChI InChI=1S/C23H25N5O5S/c1-16-24-21(32-26-16)23(22-25-17(2)27-33-22,14-6-9-18-7-4-3-5-8-18)15-19-10-12-20(13-11-19)28-34(29,30)31/h3-5,7-8,10-13,28H,6,9,14-15H2,1-2H3,(H,29,30,31)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of HPTPbeta				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta (Homo sapiens (Human))	BDBM50188775 (CHEMBL214192 | ammonium N-{4-[3-methoxy-2-(methoxy...) Show SMILES COC(=O)C(CCCS(=O)(=O)c1nnnn1-c1ccccc1)(Cc1ccc(NS([O-])(=O)=O)cc1)C(=O)OC Show InChI InChI=1S/C22H25N5O9S2/c1-35-19(28)22(20(29)36-2,15-16-9-11-17(12-10-16)24-38(32,33)34)13-6-14-37(30,31)21-23-25-26-27(21)18-7-4-3-5-8-18/h3-5,7-12,24H,6,13-15H2,1-2H3,(H,32,33,34)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of HPTPbeta				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta (Homo sapiens (Human))	BDBM50188791 (CHEMBL213732 | ammonium N-{4-[2,2-bis(3-methyl-1,2...) Show SMILES Cc1noc(n1)C(Cc1ccc(NS(O)(=O)=O)cc1)(Cc1ccc(NS([O-])(=O)=O)cc1)c1nc(C)no1 Show InChI InChI=1S/C21H22N6O8S2/c1-13-22-19(34-24-13)21(20-23-14(2)25-35-20,11-15-3-7-17(8-4-15)26-36(28,29)30)12-16-5-9-18(10-6-16)27-37(31,32)33/h3-10,26-27H,11-12H2,1-2H3,(H,28,29,30)(H,31,32,33)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of HPTPbeta				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta (Homo sapiens (Human))	BDBM50188801 (CHEMBL213620 | ammonium N-{4-[2-(2-{[(tert-butoxy)...) Show SMILES CCOC(=O)C(CCNC(=O)OC(C)(C)C)(Cc1ccc(NS([O-])(=O)=O)cc1)C(=O)OC Show InChI InChI=1S/C20H30N2O9S/c1-6-30-17(24)20(16(23)29-5,11-12-21-18(25)31-19(2,3)4)13-14-7-9-15(10-8-14)22-32(26,27)28/h7-10,22H,6,11-13H2,1-5H3,(H,21,25)(H,26,27,28)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of HPTPbeta				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta (Homo sapiens (Human))	BDBM50188797 (CHEMBL213802 | ammonium N-{4-[3-methoxy-2-(methoxy...) Show SMILES COC(=O)C(Cc1ccc(NS([O-])(=O)=O)cc1)(Cc1cccc(NS(O)(=O)=O)c1)C(=O)OC Show InChI InChI=1S/C19H22N2O10S2/c1-30-17(22)19(18(23)31-2,11-13-6-8-15(9-7-13)20-32(24,25)26)12-14-4-3-5-16(10-14)21-33(27,28)29/h3-10,20-21H,11-12H2,1-2H3,(H,24,25,26)(H,27,28,29)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of HPTPbeta				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta (Homo sapiens (Human))	BDBM50188781 (CHEMBL209527 | ammonium N-(4-{2-[(4-carboxyphenyl)...) Show SMILES COC(=O)C(Cc1ccc(NS([O-])(=O)=O)cc1)(Cc1ccc(cc1)C(O)=O)C(=O)OC Show InChI InChI=1S/C20H21NO9S/c1-29-18(24)20(19(25)30-2,11-13-3-7-15(8-4-13)17(22)23)12-14-5-9-16(10-6-14)21-31(26,27)28/h3-10,21H,11-12H2,1-2H3,(H,22,23)(H,26,27,28)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of HPTPbeta				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta (Homo sapiens (Human))	BDBM50188780 (CHEMBL211786 | ammonium N-(4-{2-[3-(benzenesulfony...) Show SMILES COC(=O)C(CCCS(=O)(=O)c1ccccc1)(Cc1ccc(NS([O-])(=O)=O)cc1)C(=O)OC Show InChI InChI=1S/C21H25NO9S2/c1-30-19(23)21(20(24)31-2,13-6-14-32(25,26)18-7-4-3-5-8-18)15-16-9-11-17(12-10-16)22-33(27,28)29/h3-5,7-12,22H,6,13-15H2,1-2H3,(H,27,28,29)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of HPTPbeta				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta (Homo sapiens (Human))	BDBM50188784 (CHEMBL385251 | ammonium N-{4-[3-methoxy-2-(methoxy...) Show SMILES COC(=O)C(CCCc1ccccc1)(Cc1ccc(NS([O-])(=O)=O)cc1)C(=O)OC Show InChI InChI=1S/C21H25NO7S/c1-28-19(23)21(20(24)29-2,14-6-9-16-7-4-3-5-8-16)15-17-10-12-18(13-11-17)22-30(25,26)27/h3-5,7-8,10-13,22H,6,9,14-15H2,1-2H3,(H,25,26,27)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of HPTPbeta				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta (Homo sapiens (Human))	BDBM50188778 (CHEMBL213626 | ammonium N-{4-[3-methoxy-2-(methoxy...) Show SMILES COC(=O)C(CCCSc1nnnn1-c1ccccc1)(Cc1ccc(NS([O-])(=O)=O)cc1)C(=O)OC Show InChI InChI=1S/C22H25N5O7S2/c1-33-19(28)22(20(29)34-2,15-16-9-11-17(12-10-16)24-36(30,31)32)13-6-14-35-21-23-25-26-27(21)18-7-4-3-5-8-18/h3-5,7-12,24H,6,13-15H2,1-2H3,(H,30,31,32)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of HPTPbeta				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta (Homo sapiens (Human))	BDBM50188782 (CHEMBL384201 | ammonium N-{4-[3-(3-cyanophenyl)-2,...) Show SMILES Cc1noc(n1)C(Cc1ccc(NS([O-])(=O)=O)cc1)(Cc1cccc(c1)C#N)c1nc(C)no1 Show InChI InChI=1S/C22H20N6O5S/c1-14-24-20(32-26-14)22(21-25-15(2)27-33-21,12-17-4-3-5-18(10-17)13-23)11-16-6-8-19(9-7-16)28-34(29,30)31/h3-10,28H,11-12H2,1-2H3,(H,29,30,31)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of HPTPbeta				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta (Homo sapiens (Human))	BDBM50188779 (CHEMBL378423 | ammonium N-{4-[4-ethoxy-2,2-bis(met...) Show SMILES CCOC(=O)CC(Cc1ccc(NS([O-])(=O)=O)cc1)(C(=O)OC)C(=O)OC Show InChI InChI=1S/C16H21NO9S/c1-4-26-13(18)10-16(14(19)24-2,15(20)25-3)9-11-5-7-12(8-6-11)17-27(21,22)23/h5-8,17H,4,9-10H2,1-3H3,(H,21,22,23)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of HPTPbeta				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta (Homo sapiens (Human))	BDBM50188783 (CHEMBL213226 | ammonium N-{4-[3-(3-methoxyphenyl)-...) Show SMILES COc1cccc(CC(Cc2ccc(NS([O-])(=O)=O)cc2)(c2nc(C)no2)c2nc(C)no2)c1 Show InChI InChI=1S/C22H23N5O6S/c1-14-23-20(32-25-14)22(21-24-15(2)26-33-21,13-17-5-4-6-19(11-17)31-3)12-16-7-9-18(10-8-16)27-34(28,29)30/h4-11,27H,12-13H2,1-3H3,(H,28,29,30)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of HPTPbeta				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta (Homo sapiens (Human))	BDBM50188798 (CHEMBL385818 | ammonium N-(4-{2-[(benzyloxy)methyl...) Show SMILES COC(=O)C(COCc1ccccc1)(Cc1ccc(NS([O-])(=O)=O)cc1)C(=O)OC Show InChI InChI=1S/C20H23NO8S/c1-27-18(22)20(19(23)28-2,14-29-13-16-6-4-3-5-7-16)12-15-8-10-17(11-9-15)21-30(24,25)26/h3-11,21H,12-14H2,1-2H3,(H,24,25,26)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of HPTPbeta				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta (Homo sapiens (Human))	BDBM50188794 (CHEMBL380374 | ammonium N-{4-[3-methoxy-2-(methoxy...) Show SMILES COC(=O)c1cccc(CC(Cc2ccc(NS([O-])(=O)=O)cc2)(C(=O)OC)C(=O)OC)c1 Show InChI InChI=1S/C21H23NO9S/c1-29-18(23)16-6-4-5-15(11-16)13-21(19(24)30-2,20(25)31-3)12-14-7-9-17(10-8-14)22-32(26,27)28/h4-11,22H,12-13H2,1-3H3,(H,26,27,28)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of HPTPbeta				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta (Homo sapiens (Human))	BDBM50188793 (CHEMBL209957 | ammonium N-{4-[3-methoxy-2-(methoxy...) Show SMILES COC(=O)C(Cc1ccc(NS([O-])(=O)=O)cc1)(Cc1cccc(c1)S(N)(=O)=O)C(=O)OC Show InChI InChI=1S/C19H22N2O9S2/c1-29-17(22)19(18(23)30-2,12-14-4-3-5-16(10-14)31(20,24)25)11-13-6-8-15(9-7-13)21-32(26,27)28/h3-10,21H,11-12H2,1-2H3,(H2,20,24,25)(H,26,27,28)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of HPTPbeta				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta (Homo sapiens (Human))	BDBM50188776 (4-(2-benzyl-3-methoxy-2-(methoxycarbonyl)-3-oxopro...) Show SMILES COC(=O)C(Cc1ccccc1)(Cc1ccc(NS(O)(=O)=O)cc1)C(=O)OC Show InChI InChI=1S/C19H21NO7S/c1-26-17(21)19(18(22)27-2,12-14-6-4-3-5-7-14)13-15-8-10-16(11-9-15)20-28(23,24)25/h3-11,20H,12-13H2,1-2H3,(H,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of HPTPbeta				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor-type tyrosine-protein phosphatase beta (Homo sapiens (Human))	BDBM50188796 (CHEMBL213728 | ammonium N-{4-[3-methoxy-2-(methoxy...) Show SMILES COC(=O)C(Cc1ccc(NS([O-])(=O)=O)cc1)(Cc1cccc(OC)c1)C(=O)OC Show InChI InChI=1S/C20H23NO8S/c1-27-17-6-4-5-15(11-17)13-20(18(22)28-2,19(23)29-3)12-14-7-9-16(10-8-14)21-30(24,25)26/h4-11,21H,12-13H2,1-3H3,(H,24,25,26)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of HPTPbeta				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta (Homo sapiens (Human))	BDBM50188785 (CHEMBL209955 | ammonium N-{4-[3-(4-methoxyphenyl)-...) Show SMILES COc1ccc(CC(Cc2ccc(NS([O-])(=O)=O)cc2)(c2nc(C)no2)c2nc(C)no2)cc1 Show InChI InChI=1S/C22H23N5O6S/c1-14-23-20(32-25-14)22(21-24-15(2)26-33-21,13-17-6-10-19(31-3)11-7-17)12-16-4-8-18(9-5-16)27-34(28,29)30/h4-11,27H,12-13H2,1-3H3,(H,28,29,30)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of HPTPbeta				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta (Homo sapiens (Human))	BDBM50188786 (CHEMBL213826 | ammonium N-{4-[6-methoxy-2,2-bis(me...) Show SMILES COC(=O)CCCC(Cc1ccc(NS([O-])(=O)=O)cc1)(C(=O)OC)C(=O)OC Show InChI InChI=1S/C17H23NO9S/c1-25-14(19)5-4-10-17(15(20)26-2,16(21)27-3)11-12-6-8-13(9-7-12)18-28(22,23)24/h6-9,18H,4-5,10-11H2,1-3H3,(H,22,23,24)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of HPTPbeta				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta (Homo sapiens (Human))	BDBM50188799 (CHEMBL213727 | ammonium N-{4-[3-methoxy-2-(methoxy...) Show SMILES COC(=O)C(Cc1ccc(NS([O-])(=O)=O)cc1)(Cc1ccc(OC)cc1)C(=O)OC Show InChI InChI=1S/C20H23NO8S/c1-27-17-10-6-15(7-11-17)13-20(18(22)28-2,19(23)29-3)12-14-4-8-16(9-5-14)21-30(24,25)26/h4-11,21H,12-13H2,1-3H3,(H,24,25,26)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of HPTPbeta				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta (Homo sapiens (Human))	BDBM50188777 (CHEMBL213452 | ammonium N-[4-(2-{[(benzyloxy)carbo...) Show SMILES CCOC(=O)C(Cc1ccc(NS([O-])(=O)=O)cc1)(NC(=O)OCc1ccccc1)C(=O)OC Show InChI InChI=1S/C21H24N2O9S/c1-3-31-19(25)21(18(24)30-2,22-20(26)32-14-16-7-5-4-6-8-16)13-15-9-11-17(12-10-15)23-33(27,28)29/h4-12,23H,3,13-14H2,1-2H3,(H,22,26)(H,27,28,29)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of HPTPbeta				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta (Homo sapiens (Human))	BDBM50188800 (CHEMBL386657 | ammonium N-{4-[3-methoxy-2-(methoxy...) Show SMILES COC(=O)c1ccc(CC(Cc2ccc(NS([O-])(=O)=O)cc2)(C(=O)OC)C(=O)OC)cc1 Show InChI InChI=1S/C21H23NO9S/c1-29-18(23)16-8-4-14(5-9-16)12-21(19(24)30-2,20(25)31-3)13-15-6-10-17(11-7-15)22-32(26,27)28/h4-11,22H,12-13H2,1-3H3,(H,26,27,28)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of HPTPbeta				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta (Homo sapiens (Human))	BDBM50188788 (CHEMBL214241 | ammonium N-{4-[2-(3-methanesulfonyl...) Show SMILES COC(=O)C(CCCS(C)(=O)=O)(Cc1ccc(NS([O-])(=O)=O)cc1)C(=O)OC Show InChI InChI=1S/C16H23NO9S2/c1-25-14(18)16(15(19)26-2,9-4-10-27(3,20)21)11-12-5-7-13(8-6-12)17-28(22,23)24/h5-8,17H,4,9-11H2,1-3H3,(H,22,23,24)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of HPTPbeta				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta (Homo sapiens (Human))	BDBM50188789 (CHEMBL378337 | ammonium N-{4-[3-methoxy-2-(methoxy...) Show SMILES COC(=O)C(Cc1ccc(NS([O-])(=O)=O)cc1)(Cc1ccc(cc1)S(N)(=O)=O)C(=O)OC Show InChI InChI=1S/C19H22N2O9S2/c1-29-17(22)19(18(23)30-2,12-14-5-9-16(10-6-14)31(20,24)25)11-13-3-7-15(8-4-13)21-32(26,27)28/h3-10,21H,11-12H2,1-2H3,(H2,20,24,25)(H,26,27,28)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of HPTPbeta				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta (Homo sapiens (Human))	BDBM50188802 (CHEMBL210180 | ammonium N-[4-(2-{[(tert-butoxy)car...) Show SMILES CCOC(=O)C(Cc1ccc(NS([O-])(=O)=O)cc1)(NC(=O)OC(C)(C)C)C(=O)OC Show InChI InChI=1S/C18H26N2O9S/c1-6-28-15(22)18(14(21)27-5,19-16(23)29-17(2,3)4)11-12-7-9-13(10-8-12)20-30(24,25)26/h7-10,20H,6,11H2,1-5H3,(H,19,23)(H,24,25,26)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of HPTPbeta				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta (Homo sapiens (Human))	BDBM50188787 (CHEMBL213594 | ammonium N-{4-[3-methoxy-2-(methoxy...) Show SMILES COC(=O)C(Cc1ccncc1)(Cc1ccc(NS([O-])(=O)=O)cc1)C(=O)OC Show InChI InChI=1S/C18H20N2O7S/c1-26-16(21)18(17(22)27-2,12-14-7-9-19-10-8-14)11-13-3-5-15(6-4-13)20-28(23,24)25/h3-10,20H,11-12H2,1-2H3,(H,23,24,25)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of HPTPbeta				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha (Homo sapiens (Human))	BDBM50188776 (4-(2-benzyl-3-methoxy-2-(methoxycarbonyl)-3-oxopro...) Show SMILES COC(=O)C(Cc1ccccc1)(Cc1ccc(NS(O)(=O)=O)cc1)C(=O)OC Show InChI InChI=1S/C19H21NO7S/c1-26-17(21)19(18(22)27-2,12-14-6-4-3-5-7-14)13-15-8-10-16(11-9-15)20-28(23,24)25/h3-11,20H,12-13H2,1-2H3,(H,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition HPTPA				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta (Homo sapiens (Human))	BDBM50188790 (CHEMBL209492 | ammonium N-{4-[3-methoxy-2-(methoxy...) Show SMILES COC(=O)C(Cc1ccc(NS([O-])(=O)=O)cc1)C(=O)OC Show InChI InChI=1S/C12H15NO7S/c1-19-11(14)10(12(15)20-2)7-8-3-5-9(6-4-8)13-21(16,17)18/h3-6,10,13H,7H2,1-2H3,(H,16,17,18)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of HPTPbeta				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50188784 (CHEMBL385251 | ammonium N-{4-[3-methoxy-2-(methoxy...) Show SMILES COC(=O)C(CCCc1ccccc1)(Cc1ccc(NS([O-])(=O)=O)cc1)C(=O)OC Show InChI InChI=1S/C21H25NO7S/c1-28-19(23)21(20(24)29-2,14-6-9-16-7-4-3-5-8-16)15-17-10-12-18(13-11-17)22-30(25,26)27/h3-5,7-8,10-13,22H,6,9,14-15H2,1-2H3,(H,25,26,27)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					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)
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)
Low molecular weight phosphotyrosine protein phosphatase (Homo sapiens (Human))	BDBM50188779 (CHEMBL378423 | ammonium N-{4-[4-ethoxy-2,2-bis(met...) Show SMILES CCOC(=O)CC(Cc1ccc(NS([O-])(=O)=O)cc1)(C(=O)OC)C(=O)OC Show InChI InChI=1S/C16H21NO9S/c1-4-26-13(18)10-16(14(19)24-2,15(20)25-3)9-11-5-7-12(8-6-11)17-27(21,22)23/h5-8,17H,4,9-10H2,1-3H3,(H,21,22,23)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of HCPTPA				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50188776 (4-(2-benzyl-3-methoxy-2-(methoxycarbonyl)-3-oxopro...) Show SMILES COC(=O)C(Cc1ccccc1)(Cc1ccc(NS(O)(=O)=O)cc1)C(=O)OC Show InChI InChI=1S/C19H21NO7S/c1-26-17(21)19(18(22)27-2,12-14-6-4-3-5-7-14)13-15-8-10-16(11-9-15)20-28(23,24)25/h3-11,20H,12-13H2,1-2H3,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (Homo sapiens (Human))	BDBM50188784 (CHEMBL385251 | ammonium N-{4-[3-methoxy-2-(methoxy...) Show SMILES COC(=O)C(CCCc1ccccc1)(Cc1ccc(NS([O-])(=O)=O)cc1)C(=O)OC Show InChI InChI=1S/C21H25NO7S/c1-28-19(23)21(20(24)29-2,14-6-9-16-7-4-3-5-8-16)15-17-10-12-18(13-11-17)22-30(25,26)27/h3-5,7-8,10-13,22H,6,9,14-15H2,1-2H3,(H,25,26,27)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of HCPTPA				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
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
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50188777 (CHEMBL213452 | ammonium N-[4-(2-{[(benzyloxy)carbo...) Show SMILES CCOC(=O)C(Cc1ccc(NS([O-])(=O)=O)cc1)(NC(=O)OCc1ccccc1)C(=O)OC Show InChI InChI=1S/C21H24N2O9S/c1-3-31-19(25)21(18(24)30-2,22-20(26)32-14-16-7-5-4-6-8-16)13-15-9-11-17(12-10-15)23-33(27,28)29/h4-12,23H,3,13-14H2,1-2H3,(H,22,26)(H,27,28,29)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50188784 (CHEMBL385251 | ammonium N-{4-[3-methoxy-2-(methoxy...) Show SMILES COC(=O)C(CCCc1ccccc1)(Cc1ccc(NS([O-])(=O)=O)cc1)C(=O)OC Show InChI InChI=1S/C21H25NO7S/c1-28-19(23)21(20(24)29-2,14-6-9-16-7-4-3-5-8-16)15-17-10-12-18(13-11-17)22-30(25,26)27/h3-5,7-8,10-13,22H,6,9,14-15H2,1-2H3,(H,25,26,27)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of TCPTP38				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50188779 (CHEMBL378423 | ammonium N-{4-[4-ethoxy-2,2-bis(met...) Show SMILES CCOC(=O)CC(Cc1ccc(NS([O-])(=O)=O)cc1)(C(=O)OC)C(=O)OC Show InChI InChI=1S/C16H21NO9S/c1-4-26-13(18)10-16(14(19)24-2,15(20)25-3)9-11-5-7-12(8-6-11)17-27(21,22)23/h5-8,17H,4,9-10H2,1-3H3,(H,21,22,23)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
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)
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50188776 (4-(2-benzyl-3-methoxy-2-(methoxycarbonyl)-3-oxopro...) Show SMILES COC(=O)C(Cc1ccccc1)(Cc1ccc(NS(O)(=O)=O)cc1)C(=O)OC Show InChI InChI=1S/C19H21NO7S/c1-26-17(21)19(18(22)27-2,12-14-6-4-3-5-7-14)13-15-8-10-16(11-9-15)20-28(23,24)25/h3-11,20H,12-13H2,1-2H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of TCPTP				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					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
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
Receptor-type tyrosine-protein phosphatase C (Homo sapiens (Human))	BDBM50188784 (CHEMBL385251 | ammonium N-{4-[3-methoxy-2-(methoxy...) Show SMILES COC(=O)C(CCCc1ccccc1)(Cc1ccc(NS([O-])(=O)=O)cc1)C(=O)OC Show InChI InChI=1S/C21H25NO7S/c1-28-19(23)21(20(24)29-2,14-6-9-16-7-4-3-5-8-16)15-17-10-12-18(13-11-17)22-30(25,26)27/h3-5,7-8,10-13,22H,6,9,14-15H2,1-2H3,(H,25,26,27)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CD45				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					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)

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