Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50033602   

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 11 (Homo sapiens (Human))	BDBM50348092 (CHEMBL1800273) Show SMILES Cc1cc(c(cc1-n1[nH]c(cc1=O)C(O)=O)S(O)(=O)=O)S(O)(=O)=O Show InChI InChI=1S/C11H10N2O9S2/c1-5-2-8(23(17,18)19)9(24(20,21)22)4-7(5)13-10(14)3-6(12-13)11(15)16/h2-4,12H,1H3,(H,15,16)(H,17,18,19)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Reversible inhibition at SHP2 catalytic domain assessed as inhibition of pNPP to p-nitrophenol conversion by spectrophotometry				Bioorg Med Chem Lett 21: 4238-42 (2011) Article DOI: 10.1016/j.bmcl.2011.05.078 BindingDB Entry DOI: 10.7270/Q2JQ11CJ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50348092 (CHEMBL1800273) Show SMILES Cc1cc(c(cc1-n1[nH]c(cc1=O)C(O)=O)S(O)(=O)=O)S(O)(=O)=O Show InChI InChI=1S/C11H10N2O9S2/c1-5-2-8(23(17,18)19)9(24(20,21)22)4-7(5)13-10(14)3-6(12-13)11(15)16/h2-4,12H,1H3,(H,15,16)(H,17,18,19)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Competitive inhibition at SHP2 catalytic domain assessed as inhibition of pNPP to p-nitrophenol conversion by spectrophotometry				Bioorg Med Chem Lett 21: 4238-42 (2011) Article DOI: 10.1016/j.bmcl.2011.05.078 BindingDB Entry DOI: 10.7270/Q2JQ11CJ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50348092 (CHEMBL1800273) Show SMILES Cc1cc(c(cc1-n1[nH]c(cc1=O)C(O)=O)S(O)(=O)=O)S(O)(=O)=O Show InChI InChI=1S/C11H10N2O9S2/c1-5-2-8(23(17,18)19)9(24(20,21)22)4-7(5)13-10(14)3-6(12-13)11(15)16/h2-4,12H,1H3,(H,15,16)(H,17,18,19)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of SHP2 catalytic domain assessed as inhibition of pNPP to p-nitrophenol conversion after 5 mins by spectrophotometry				Bioorg Med Chem Lett 21: 4238-42 (2011) Article DOI: 10.1016/j.bmcl.2011.05.078 BindingDB Entry DOI: 10.7270/Q2JQ11CJ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 6 (Homo sapiens (Human))	BDBM50348092 (CHEMBL1800273) Show SMILES Cc1cc(c(cc1-n1[nH]c(cc1=O)C(O)=O)S(O)(=O)=O)S(O)(=O)=O Show InChI InChI=1S/C11H10N2O9S2/c1-5-2-8(23(17,18)19)9(24(20,21)22)4-7(5)13-10(14)3-6(12-13)11(15)16/h2-4,12H,1H3,(H,15,16)(H,17,18,19)(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of SHP1				Bioorg Med Chem Lett 21: 4238-42 (2011) Article DOI: 10.1016/j.bmcl.2011.05.078 BindingDB Entry DOI: 10.7270/Q2JQ11CJ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50348091 (CHEMBL579363 | GNF-PF-1973) Show SMILES CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccc(c3)C(O)=O)cc12 Show InChI InChI=1S/C18H15NO6S/c1-10(20)17-11(2)25-16-7-6-13(9-15(16)17)19-26(23,24)14-5-3-4-12(8-14)18(21)22/h3-9,19H,1-2H3,(H,21,22)	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	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem Lett 21: 4238-42 (2011) Article DOI: 10.1016/j.bmcl.2011.05.078 BindingDB Entry DOI: 10.7270/Q2JQ11CJ
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50348093 (CHEMBL1800274) Show SMILES Cc1cc(ccc1-n1[nH]c(cc1=O)C(O)=O)S(O)(=O)=O Show InChI InChI=1S/C11H10N2O6S/c1-6-4-7(20(17,18)19)2-3-9(6)13-10(14)5-8(12-13)11(15)16/h2-5,12H,1H3,(H,15,16)(H,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of SHP2 catalytic domain assessed as inhibition of pNPP to p-nitrophenol conversion after 5 mins by spectrophotometry				Bioorg Med Chem Lett 21: 4238-42 (2011) Article DOI: 10.1016/j.bmcl.2011.05.078 BindingDB Entry DOI: 10.7270/Q2JQ11CJ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 6 (Homo sapiens (Human))	BDBM50348091 (CHEMBL579363 | GNF-PF-1973) Show SMILES CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccc(c3)C(O)=O)cc12 Show InChI InChI=1S/C18H15NO6S/c1-10(20)17-11(2)25-16-7-6-13(9-15(16)17)19-26(23,24)14-5-3-4-12(8-14)18(21)22/h3-9,19H,1-2H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of SHP1				Bioorg Med Chem Lett 21: 4238-42 (2011) Article DOI: 10.1016/j.bmcl.2011.05.078 BindingDB Entry DOI: 10.7270/Q2JQ11CJ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50348092 (CHEMBL1800273) Show SMILES Cc1cc(c(cc1-n1[nH]c(cc1=O)C(O)=O)S(O)(=O)=O)S(O)(=O)=O Show InChI InChI=1S/C11H10N2O9S2/c1-5-2-8(23(17,18)19)9(24(20,21)22)4-7(5)13-10(14)3-6(12-13)11(15)16/h2-4,12H,1H3,(H,15,16)(H,17,18,19)(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of TC-PTP				Bioorg Med Chem Lett 21: 4238-42 (2011) Article DOI: 10.1016/j.bmcl.2011.05.078 BindingDB Entry DOI: 10.7270/Q2JQ11CJ
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase 22 (Homo sapiens (Human))	BDBM50348092 (CHEMBL1800273) Show SMILES Cc1cc(c(cc1-n1[nH]c(cc1=O)C(O)=O)S(O)(=O)=O)S(O)(=O)=O Show InChI InChI=1S/C11H10N2O9S2/c1-5-2-8(23(17,18)19)9(24(20,21)22)4-7(5)13-10(14)3-6(12-13)11(15)16/h2-4,12H,1H3,(H,15,16)(H,17,18,19)(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of VHX				Bioorg Med Chem Lett 21: 4238-42 (2011) Article DOI: 10.1016/j.bmcl.2011.05.078 BindingDB Entry DOI: 10.7270/Q2JQ11CJ
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F (Homo sapiens (Human))	BDBM50348092 (CHEMBL1800273) Show SMILES Cc1cc(c(cc1-n1[nH]c(cc1=O)C(O)=O)S(O)(=O)=O)S(O)(=O)=O Show InChI InChI=1S/C11H10N2O9S2/c1-5-2-8(23(17,18)19)9(24(20,21)22)4-7(5)13-10(14)3-6(12-13)11(15)16/h2-4,12H,1H3,(H,15,16)(H,17,18,19)(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of LAR				Bioorg Med Chem Lett 21: 4238-42 (2011) Article DOI: 10.1016/j.bmcl.2011.05.078 BindingDB Entry DOI: 10.7270/Q2JQ11CJ
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase C (Homo sapiens (Human))	BDBM50348092 (CHEMBL1800273) Show SMILES Cc1cc(c(cc1-n1[nH]c(cc1=O)C(O)=O)S(O)(=O)=O)S(O)(=O)=O Show InChI InChI=1S/C11H10N2O9S2/c1-5-2-8(23(17,18)19)9(24(20,21)22)4-7(5)13-10(14)3-6(12-13)11(15)16/h2-4,12H,1H3,(H,15,16)(H,17,18,19)(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of CD45				Bioorg Med Chem Lett 21: 4238-42 (2011) Article DOI: 10.1016/j.bmcl.2011.05.078 BindingDB Entry DOI: 10.7270/Q2JQ11CJ
					More data for this Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (Homo sapiens (Human))	BDBM50348092 (CHEMBL1800273) Show SMILES Cc1cc(c(cc1-n1[nH]c(cc1=O)C(O)=O)S(O)(=O)=O)S(O)(=O)=O Show InChI InChI=1S/C11H10N2O9S2/c1-5-2-8(23(17,18)19)9(24(20,21)22)4-7(5)13-10(14)3-6(12-13)11(15)16/h2-4,12H,1H3,(H,15,16)(H,17,18,19)(H,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of LMW-PTP				Bioorg Med Chem Lett 21: 4238-42 (2011) Article DOI: 10.1016/j.bmcl.2011.05.078 BindingDB Entry DOI: 10.7270/Q2JQ11CJ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50348092 (CHEMBL1800273) Show SMILES Cc1cc(c(cc1-n1[nH]c(cc1=O)C(O)=O)S(O)(=O)=O)S(O)(=O)=O Show InChI InChI=1S/C11H10N2O9S2/c1-5-2-8(23(17,18)19)9(24(20,21)22)4-7(5)13-10(14)3-6(12-13)11(15)16/h2-4,12H,1H3,(H,15,16)(H,17,18,19)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.18E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem Lett 21: 4238-42 (2011) Article DOI: 10.1016/j.bmcl.2011.05.078 BindingDB Entry DOI: 10.7270/Q2JQ11CJ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50348090 (CHEMBL1800272) Show SMILES CC(=O)N(c1ccc2oc3CCCCc3c2c1)S(=O)(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C21H19NO6S/c1-13(23)22(29(26,27)16-9-6-14(7-10-16)21(24)25)15-8-11-20-18(12-15)17-4-2-3-5-19(17)28-20/h6-12H,2-5H2,1H3,(H,24,25)	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	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem Lett 21: 4238-42 (2011) Article DOI: 10.1016/j.bmcl.2011.05.078 BindingDB Entry DOI: 10.7270/Q2JQ11CJ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50348094 (CHEMBL214303) Show SMILES OC(=O)c1cc(=O)n([nH]1)-c1ccc(cc1)S(O)(=O)=O Show InChI InChI=1S/C10H8N2O6S/c13-9-5-8(10(14)15)11-12(9)6-1-3-7(4-2-6)19(16,17)18/h1-5,11H,(H,14,15)(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.55E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of SHP2 catalytic domain assessed as inhibition of pNPP to p-nitrophenol conversion after 5 mins by spectrophotometry				Bioorg Med Chem Lett 21: 4238-42 (2011) Article DOI: 10.1016/j.bmcl.2011.05.078 BindingDB Entry DOI: 10.7270/Q2JQ11CJ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 6 (Homo sapiens (Human))	BDBM50348090 (CHEMBL1800272) Show SMILES CC(=O)N(c1ccc2oc3CCCCc3c2c1)S(=O)(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C21H19NO6S/c1-13(23)22(29(26,27)16-9-6-14(7-10-16)21(24)25)15-8-11-20-18(12-15)17-4-2-3-5-19(17)28-20/h6-12H,2-5H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of SHP1				Bioorg Med Chem Lett 21: 4238-42 (2011) Article DOI: 10.1016/j.bmcl.2011.05.078 BindingDB Entry DOI: 10.7270/Q2JQ11CJ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50348091 (CHEMBL579363 | GNF-PF-1973) Show SMILES CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccc(c3)C(O)=O)cc12 Show InChI InChI=1S/C18H15NO6S/c1-10(20)17-11(2)25-16-7-6-13(9-15(16)17)19-26(23,24)14-5-3-4-12(8-14)18(21)22/h3-9,19H,1-2H3,(H,21,22)	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	1.76E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of SHP2 catalytic domain assessed as inhibition of pNPP to p-nitrophenol conversion after 5 mins by spectrophotometry				Bioorg Med Chem Lett 21: 4238-42 (2011) Article DOI: 10.1016/j.bmcl.2011.05.078 BindingDB Entry DOI: 10.7270/Q2JQ11CJ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50348090 (CHEMBL1800272) Show SMILES CC(=O)N(c1ccc2oc3CCCCc3c2c1)S(=O)(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C21H19NO6S/c1-13(23)22(29(26,27)16-9-6-14(7-10-16)21(24)25)15-8-11-20-18(12-15)17-4-2-3-5-19(17)28-20/h6-12H,2-5H2,1H3,(H,24,25)	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	1.81E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of SHP2 catalytic domain assessed as inhibition of pNPP to p-nitrophenol conversion after 5 mins by spectrophotometry				Bioorg Med Chem Lett 21: 4238-42 (2011) Article DOI: 10.1016/j.bmcl.2011.05.078 BindingDB Entry DOI: 10.7270/Q2JQ11CJ
					More data for this Ligand-Target Pair