Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 1' and Ligand = 'BDBM50441103'   

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))	BDBM50441103 (CHEMBL2430577) Show SMILES CCCOc1c2Cc3cccc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5O)C(O)(P(O)(O)=O)P(O)(O)=O)c4OCCC)c3O Show InChI InChI=1S/C35H40O11P2/c1-3-14-45-33-24-10-6-12-26(33)18-28-20-30(35(38,47(39,40)41)48(42,43)44)21-29(32(28)37)19-27-13-7-11-25(34(27)46-15-4-2)17-23-9-5-8-22(16-24)31(23)36/h5-13,20-21,36-38H,3-4,14-19H2,1-2H3,(H2,39,40,41)(H2,42,43,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Reversible inhibition of recombinant full length PTP1B (unknown origin) assessed as p-nitrophenyl phosphate conversion to p-nitrophenol after 10 mins...				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))	BDBM50441103 (CHEMBL2430577) Show SMILES CCCOc1c2Cc3cccc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5O)C(O)(P(O)(O)=O)P(O)(O)=O)c4OCCC)c3O Show InChI InChI=1S/C35H40O11P2/c1-3-14-45-33-24-10-6-12-26(33)18-28-20-30(35(38,47(39,40)41)48(42,43)44)21-29(32(28)37)19-27-13-7-11-25(34(27)46-15-4-2)17-23-9-5-8-22(16-24)31(23)36/h5-13,20-21,36-38H,3-4,14-19H2,1-2H3,(H2,39,40,41)(H2,42,43,44)	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	1.90E+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 1 (Homo sapiens (Human))	BDBM50441103 (CHEMBL2430577) Show SMILES CCCOc1c2Cc3cccc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5O)C(O)(P(O)(O)=O)P(O)(O)=O)c4OCCC)c3O Show InChI InChI=1S/C35H40O11P2/c1-3-14-45-33-24-10-6-12-26(33)18-28-20-30(35(38,47(39,40)41)48(42,43)44)21-29(32(28)37)19-27-13-7-11-25(34(27)46-15-4-2)17-23-9-5-8-22(16-24)31(23)36/h5-13,20-21,36-38H,3-4,14-19H2,1-2H3,(H2,39,40,41)(H2,42,43,44)	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+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