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 = 'BDBM50479039'   

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))	BDBM50479039 (CHEMBL454276 | Nakafuran-8) Show SMILES [H][C@@]12C[C@H](C)[C@](C)(CCc3ccoc13)C(C)=C2 |r,c:17,TLB:10:9:2.3:14.16,12:13:2.3:14.16,THB:4:3:7.8.13.9:14.16,15:14:7.8.13.9:2.3| Show InChI InChI=1S/C15H20O/c1-10-8-13-9-11(2)15(10,3)6-4-12-5-7-16-14(12)13/h5,7-8,11,13H,4,6,9H2,1-3H3/t11-,13+,15+/m0/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	8.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B catalytic domain				J Nat Prod 71: 1399-403 (2008) Article DOI: 10.1021/np8002035 BindingDB Entry DOI: 10.7270/Q2VT1VW1
					More data for this Ligand-Target Pair