Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50031326   

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 (Homo sapiens (Human))	BDBM50311254 (2-hydroxy-4-(2-hydroxy-6-pentadecyl-4-((2S,3R,4S,5...) Show SMILES CCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)Oc1cc(C)c(C(O)=O)c(O)c1 |r| Show InChI InChI=1S/C36H52O12/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-18-25(47-36-33(42)32(41)31(40)28(21-37)48-36)20-27(39)30(23)35(45)46-24-17-22(2)29(34(43)44)26(38)19-24/h17-20,28,31-33,36-42H,3-16,21H2,1-2H3,(H,43,44)/t28-,31-,32+,33-,36-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Silla University Curated by ChEMBL					Assay Description Competitive inhibition of PTP1B mediated pNPP hydrolysis by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 19: 6095-7 (2009) Article DOI: 10.1016/j.bmcl.2009.09.025 BindingDB Entry DOI: 10.7270/Q22J6BZQ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50311254 (2-hydroxy-4-(2-hydroxy-6-pentadecyl-4-((2S,3R,4S,5...) Show SMILES CCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)Oc1cc(C)c(C(O)=O)c(O)c1 |r| Show InChI InChI=1S/C36H52O12/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-18-25(47-36-33(42)32(41)31(40)28(21-37)48-36)20-27(39)30(23)35(45)46-24-17-22(2)29(34(43)44)26(38)19-24/h17-20,28,31-33,36-42H,3-16,21H2,1-2H3,(H,43,44)/t28-,31-,32+,33-,36-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Silla University Curated by ChEMBL					Assay Description Inhibition of PTP1B mediated pNPP hydrolysis				Bioorg Med Chem Lett 19: 6095-7 (2009) Article DOI: 10.1016/j.bmcl.2009.09.025 BindingDB Entry DOI: 10.7270/Q22J6BZQ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50311256 (4-(2,4-dihydroxy-6-pentadecylbenzoyloxy)-2-hydroxy...) Show SMILES CCCCCCCCCCCCCCCc1cc(O)cc(O)c1C(=O)Oc1cc(C)c(C(O)=O)c(O)c1 Show InChI InChI=1S/C30H42O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-23(31)19-25(32)28(22)30(36)37-24-17-21(2)27(29(34)35)26(33)20-24/h17-20,31-33H,3-16H2,1-2H3,(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Silla University Curated by ChEMBL					Assay Description Inhibition of PTP1B mediated pNPP hydrolysis				Bioorg Med Chem Lett 19: 6095-7 (2009) Article DOI: 10.1016/j.bmcl.2009.09.025 BindingDB Entry DOI: 10.7270/Q22J6BZQ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50311254 (2-hydroxy-4-(2-hydroxy-6-pentadecyl-4-((2S,3R,4S,5...) Show SMILES CCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)Oc1cc(C)c(C(O)=O)c(O)c1 |r| Show InChI InChI=1S/C36H52O12/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-18-25(47-36-33(42)32(41)31(40)28(21-37)48-36)20-27(39)30(23)35(45)46-24-17-22(2)29(34(43)44)26(38)19-24/h17-20,28,31-33,36-42H,3-16,21H2,1-2H3,(H,43,44)/t28-,31-,32+,33-,36-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Silla University Curated by ChEMBL					Assay Description Inhibition of TCPTP				Bioorg Med Chem Lett 19: 6095-7 (2009) Article DOI: 10.1016/j.bmcl.2009.09.025 BindingDB Entry DOI: 10.7270/Q22J6BZQ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50311257 (2-hydroxy-6-pentadecyl-4-((2S,3R,4S,5S,6R)-3,4,5-t...) Show SMILES CCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1C(O)=O |r| Show InChI InChI=1S/C28H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(17-21(30)23(19)27(34)35)36-28-26(33)25(32)24(31)22(18-29)37-28/h16-17,22,24-26,28-33H,2-15,18H2,1H3,(H,34,35)/t22-,24-,25+,26-,28-/m1/s1	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	590	n/a	n/a	n/a	n/a	n/a	n/a
Silla University Curated by ChEMBL					Assay Description Inhibition of PTP1B mediated pNPP hydrolysis				Bioorg Med Chem Lett 19: 6095-7 (2009) Article DOI: 10.1016/j.bmcl.2009.09.025 BindingDB Entry DOI: 10.7270/Q22J6BZQ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50148911 ((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...) Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9| Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Silla University Curated by ChEMBL					Assay Description Inhibition of PTP1B mediated pNPP hydrolysis				Bioorg Med Chem Lett 19: 6095-7 (2009) Article DOI: 10.1016/j.bmcl.2009.09.025 BindingDB Entry DOI: 10.7270/Q22J6BZQ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50311255 (3-hydroxy-4-(methoxycarbonyl)-5-methylphenyl 2-hyd...) Show SMILES CCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)OC)c(O)c1 |r| Show InChI InChI=1S/C37H54O12/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-19-26(48-37-34(43)33(42)32(41)29(22-38)49-37)21-28(40)31(24)36(45)47-25-18-23(2)30(27(39)20-25)35(44)46-3/h18-21,29,32-34,37-43H,4-17,22H2,1-3H3/t29-,32-,33+,34-,37-/m1/s1	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	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Silla University Curated by ChEMBL					Assay Description Inhibition of PTP1B mediated pNPP hydrolysis				Bioorg Med Chem Lett 19: 6095-7 (2009) Article DOI: 10.1016/j.bmcl.2009.09.025 BindingDB Entry DOI: 10.7270/Q22J6BZQ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50311254 (2-hydroxy-4-(2-hydroxy-6-pentadecyl-4-((2S,3R,4S,5...) Show SMILES CCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)Oc1cc(C)c(C(O)=O)c(O)c1 |r| Show InChI InChI=1S/C36H52O12/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-18-25(47-36-33(42)32(41)31(40)28(21-37)48-36)20-27(39)30(23)35(45)46-24-17-22(2)29(34(43)44)26(38)19-24/h17-20,28,31-33,36-42H,3-16,21H2,1-2H3,(H,43,44)/t28-,31-,32+,33-,36-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Silla University Curated by ChEMBL					Assay Description Inhibition of SHP-2				Bioorg Med Chem Lett 19: 6095-7 (2009) Article DOI: 10.1016/j.bmcl.2009.09.025 BindingDB Entry DOI: 10.7270/Q22J6BZQ
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F (Homo sapiens (Human))	BDBM50311254 (2-hydroxy-4-(2-hydroxy-6-pentadecyl-4-((2S,3R,4S,5...) Show SMILES CCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)Oc1cc(C)c(C(O)=O)c(O)c1 |r| Show InChI InChI=1S/C36H52O12/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-18-25(47-36-33(42)32(41)31(40)28(21-37)48-36)20-27(39)30(23)35(45)46-24-17-22(2)29(34(43)44)26(38)19-24/h17-20,28,31-33,36-42H,3-16,21H2,1-2H3,(H,43,44)/t28-,31-,32+,33-,36-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Silla University Curated by ChEMBL					Assay Description Inhibition of LAR				Bioorg Med Chem Lett 19: 6095-7 (2009) Article DOI: 10.1016/j.bmcl.2009.09.025 BindingDB Entry DOI: 10.7270/Q22J6BZQ
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase C (Homo sapiens (Human))	BDBM50311254 (2-hydroxy-4-(2-hydroxy-6-pentadecyl-4-((2S,3R,4S,5...) Show SMILES CCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)Oc1cc(C)c(C(O)=O)c(O)c1 |r| Show InChI InChI=1S/C36H52O12/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-18-25(47-36-33(42)32(41)31(40)28(21-37)48-36)20-27(39)30(23)35(45)46-24-17-22(2)29(34(43)44)26(38)19-24/h17-20,28,31-33,36-42H,3-16,21H2,1-2H3,(H,43,44)/t28-,31-,32+,33-,36-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Silla University Curated by ChEMBL					Assay Description Inhibition of CD45				Bioorg Med Chem Lett 19: 6095-7 (2009) Article DOI: 10.1016/j.bmcl.2009.09.025 BindingDB Entry DOI: 10.7270/Q22J6BZQ
					More data for this Ligand-Target Pair