Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 1' and Ligand = 'BDBM50541541'   

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))	BDBM50541541 (CHEMBL4637629) Show SMILES CCCCCCC\C=C\C(\COC(O)=O)=C\[C@@H]1[C@@H](\C=C\C(O)=O)C(COC(C)=O)=C[C@@H](CCCCCCC)[C@H]1C(O)=O |r,c:28| Show InChI InChI=1S/C33H50O9/c1-4-6-8-10-11-13-14-16-25(22-42-33(39)40)20-29-28(18-19-30(35)36)27(23-41-24(3)34)21-26(31(29)32(37)38)17-15-12-9-7-5-2/h14,16,18-21,26,28-29,31H,4-13,15,17,22-23H2,1-3H3,(H,35,36)(H,37,38)(H,39,40)/b16-14+,19-18+,25-20-/t26-,28+,29-,31-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by ...				J Nat Prod 83: 1598-1610 (2020) Article DOI: 10.1021/acs.jnatprod.0c00070 BindingDB Entry DOI: 10.7270/Q26113W3
					More data for this Ligand-Target Pair