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 = 'BDBM50320876'   

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))	BDBM50320876 (4-(4-Chlorophenyl)-7,7-dimethyl-2-phenyl-4,6,7,8-t...) Show SMILES CC1(C)CC(=O)C2C(C=C(N=C2C1)c1ccccc1)c1ccc(Cl)cc1 |c:8,10| Show InChI InChI=1S/C23H22ClNO/c1-23(2)13-20-22(21(26)14-23)18(15-8-10-17(24)11-9-15)12-19(25-20)16-6-4-3-5-7-16/h3-12,18,22H,13-14H2,1-2H3	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	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of PTP1B assessed as p-nitrophenolate ion production pretreated for 10 mins measured after 30 mins				Bioorg Med Chem 18: 4138-48 (2010) Article DOI: 10.1016/j.bmc.2009.11.061 BindingDB Entry DOI: 10.7270/Q2DJ5FSF
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