Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 888.6 BDBM50441104

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 7 hits in this display   

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))	BDBM50441104 (CHEMBL2430578) Show SMILES CCCOc1c2Cc3cc(cc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5O)C(O)(P(O)(O)=O)P(O)(O)=O)c4OCCC)c3O)C(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C36H44O18P4/c1-3-11-53-33-21-7-5-8-22(33)14-26-18-30(36(40,57(47,48)49)58(50,51)52)20-28(32(26)38)16-24-10-6-9-23(34(24)54-12-4-2)15-27-19-29(17-25(13-21)31(27)37)35(39,55(41,42)43)56(44,45)46/h5-10,17-20,37-40H,3-4,11-16H2,1-2H3,(H2,41,42,43)(H2,44,45,46)(H2,47,48,49)(H2,50,51,52)	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	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Inhibition of recombinant truncated PTP1B (unknown origin) using pTyr1146 as substrate assessed as inorganic phosphate level after 20 mins by spectro...				Bioorg Med Chem Lett 23: 5619-23 (2013) Article DOI: 10.1016/j.bmcl.2013.08.040 BindingDB Entry DOI: 10.7270/Q29Z96BF
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50441104 (CHEMBL2430578) Show SMILES CCCOc1c2Cc3cc(cc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5O)C(O)(P(O)(O)=O)P(O)(O)=O)c4OCCC)c3O)C(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C36H44O18P4/c1-3-11-53-33-21-7-5-8-22(33)14-26-18-30(36(40,57(47,48)49)58(50,51)52)20-28(32(26)38)16-24-10-6-9-23(34(24)54-12-4-2)15-27-19-29(17-25(13-21)31(27)37)35(39,55(41,42)43)56(44,45)46/h5-10,17-20,37-40H,3-4,11-16H2,1-2H3,(H2,41,42,43)(H2,44,45,46)(H2,47,48,49)(H2,50,51,52)	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
National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Inhibition of recombinant full length PTP1B (unknown origin) assessed as p-nitrophenyl phosphate conversion to p-nitrophenol after 10 mins by spectro...				Bioorg Med Chem Lett 23: 5619-23 (2013) Article DOI: 10.1016/j.bmcl.2013.08.040 BindingDB Entry DOI: 10.7270/Q29Z96BF
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50441104 (CHEMBL2430578) Show SMILES CCCOc1c2Cc3cc(cc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5O)C(O)(P(O)(O)=O)P(O)(O)=O)c4OCCC)c3O)C(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C36H44O18P4/c1-3-11-53-33-21-7-5-8-22(33)14-26-18-30(36(40,57(47,48)49)58(50,51)52)20-28(32(26)38)16-24-10-6-9-23(34(24)54-12-4-2)15-27-19-29(17-25(13-21)31(27)37)35(39,55(41,42)43)56(44,45)46/h5-10,17-20,37-40H,3-4,11-16H2,1-2H3,(H2,41,42,43)(H2,44,45,46)(H2,47,48,49)(H2,50,51,52)	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	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Inhibition of SHP2 (unknown origin) assessed as p-nitrophenyl phosphate conversion to p-nitrophenol after 10 mins by spectrophotometric analysis				Bioorg Med Chem Lett 23: 5619-23 (2013) Article DOI: 10.1016/j.bmcl.2013.08.040 BindingDB Entry DOI: 10.7270/Q29Z96BF
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta (Homo sapiens (Human))	BDBM50441104 (CHEMBL2430578) Show SMILES CCCOc1c2Cc3cc(cc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5O)C(O)(P(O)(O)=O)P(O)(O)=O)c4OCCC)c3O)C(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C36H44O18P4/c1-3-11-53-33-21-7-5-8-22(33)14-26-18-30(36(40,57(47,48)49)58(50,51)52)20-28(32(26)38)16-24-10-6-9-23(34(24)54-12-4-2)15-27-19-29(17-25(13-21)31(27)37)35(39,55(41,42)43)56(44,45)46/h5-10,17-20,37-40H,3-4,11-16H2,1-2H3,(H2,41,42,43)(H2,44,45,46)(H2,47,48,49)(H2,50,51,52)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Inhibition of PTPbeta (unknown origin) assessed as p-nitrophenyl phosphate conversion to p-nitrophenol after 10 mins by spectrophotometric analysis				Bioorg Med Chem Lett 23: 5619-23 (2013) Article DOI: 10.1016/j.bmcl.2013.08.040 BindingDB Entry DOI: 10.7270/Q29Z96BF
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50441104 (CHEMBL2430578) Show SMILES CCCOc1c2Cc3cc(cc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5O)C(O)(P(O)(O)=O)P(O)(O)=O)c4OCCC)c3O)C(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C36H44O18P4/c1-3-11-53-33-21-7-5-8-22(33)14-26-18-30(36(40,57(47,48)49)58(50,51)52)20-28(32(26)38)16-24-10-6-9-23(34(24)54-12-4-2)15-27-19-29(17-25(13-21)31(27)37)35(39,55(41,42)43)56(44,45)46/h5-10,17-20,37-40H,3-4,11-16H2,1-2H3,(H2,41,42,43)(H2,44,45,46)(H2,47,48,49)(H2,50,51,52)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Inhibition of TCPTP (unknown origin) assessed as p-nitrophenyl phosphate conversion to p-nitrophenol after 10 mins by spectrophotometric analysis				Bioorg Med Chem Lett 23: 5619-23 (2013) Article DOI: 10.1016/j.bmcl.2013.08.040 BindingDB Entry DOI: 10.7270/Q29Z96BF
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase C (Homo sapiens (Human))	BDBM50441104 (CHEMBL2430578) Show SMILES CCCOc1c2Cc3cc(cc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5O)C(O)(P(O)(O)=O)P(O)(O)=O)c4OCCC)c3O)C(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C36H44O18P4/c1-3-11-53-33-21-7-5-8-22(33)14-26-18-30(36(40,57(47,48)49)58(50,51)52)20-28(32(26)38)16-24-10-6-9-23(34(24)54-12-4-2)15-27-19-29(17-25(13-21)31(27)37)35(39,55(41,42)43)56(44,45)46/h5-10,17-20,37-40H,3-4,11-16H2,1-2H3,(H2,41,42,43)(H2,44,45,46)(H2,47,48,49)(H2,50,51,52)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Inhibition of CD45 (unknown origin) assessed as p-nitrophenyl phosphate conversion to p-nitrophenol after 10 mins by spectrophotometric analysis				Bioorg Med Chem Lett 23: 5619-23 (2013) Article DOI: 10.1016/j.bmcl.2013.08.040 BindingDB Entry DOI: 10.7270/Q29Z96BF
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F (Homo sapiens (Human))	BDBM50441104 (CHEMBL2430578) Show SMILES CCCOc1c2Cc3cc(cc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5O)C(O)(P(O)(O)=O)P(O)(O)=O)c4OCCC)c3O)C(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C36H44O18P4/c1-3-11-53-33-21-7-5-8-22(33)14-26-18-30(36(40,57(47,48)49)58(50,51)52)20-28(32(26)38)16-24-10-6-9-23(34(24)54-12-4-2)15-27-19-29(17-25(13-21)31(27)37)35(39,55(41,42)43)56(44,45)46/h5-10,17-20,37-40H,3-4,11-16H2,1-2H3,(H2,41,42,43)(H2,44,45,46)(H2,47,48,49)(H2,50,51,52)	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
National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Inhibition of LAR (unknown origin) assessed as p-nitrophenyl phosphate conversion to p-nitrophenol after 10 mins by spectrophotometric analysis				Bioorg Med Chem Lett 23: 5619-23 (2013) Article DOI: 10.1016/j.bmcl.2013.08.040 BindingDB Entry DOI: 10.7270/Q29Z96BF
					More data for this Ligand-Target Pair