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 = 'BDBM50540272'   

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))	BDBM50540272 ((+)-Malbrancheamide | CHEMBL508749) Show SMILES [H][C@@]12C[C@]34CCCN3C[C@@]1(Cc1c([nH]c3cc(Cl)c(Cl)cc13)C2(C)C)NC4=O |r,TLB:6:7:2.1:26.25| Show InChI InChI=1S/C21H23Cl2N3O/c1-19(2)16-9-21-4-3-5-26(21)10-20(16,25-18(21)27)8-12-11-6-13(22)14(23)7-15(11)24-17(12)19/h6-7,16,24H,3-5,8-10H2,1-2H3,(H,25,27)/t16-,20+,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Greensboro Curated by ChEMBL					Assay Description Inhibition of human PTP1B expressed in Escherichia coli BL21 (DE3) cells using PNPP as substate preincubated for 5 mins followed by substrate additon...				J Nat Prod 83: 675-683 (2020) Article DOI: 10.1021/acs.jnatprod.9b01108 BindingDB Entry DOI: 10.7270/Q2DZ0CVR
					More data for this Ligand-Target Pair