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 = 'BDBM50190666'   

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))	BDBM50190666 (CHEMBL3954985) Show SMILES [H][C@@]12CC[C@@](C)(OC)[C@]3([H])CC[C@](C)([C@@H](CC(C)C)c4c(O)c(C=O)c(O)c(C=O)c4O)[C@@]3([H])[C@]1([H])C2(C)C |r| Show InChI InChI=1S/C29H42O6/c1-15(2)12-20(21-25(33)16(13-30)24(32)17(14-31)26(21)34)28(5)10-8-19-23(28)22-18(27(22,3)4)9-11-29(19,6)35-7/h13-15,18-20,22-23,32-34H,8-12H2,1-7H3/t18-,19-,20+,22-,23-,28-,29-/m1/s1	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
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) using pNPP as substrate after 3 mins by colorimetric analysis				J Nat Prod 79: 1365-72 (2016) Article DOI: 10.1021/acs.jnatprod.6b00090 BindingDB Entry DOI: 10.7270/Q27W6F46
					More data for this Ligand-Target Pair