Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 11' and Ligand = 'BDBM111864'   

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 11 (Homo sapiens (Human))	BDBM111864 (US8623906, JHE-02-010C | US9174969, JHE-02-010C) Show SMILES CCOC(=O)C(NC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1)C(C)C Show InChI InChI=1S/C26H33ClN4O5S/c1-4-36-25(32)24(18(2)3)28-26(33)31-11-10-19-16-22(8-9-23(19)31)37(34,35)30-14-12-29(13-15-30)21-7-5-6-20(27)17-21/h5-9,16-18,24H,4,10-15H2,1-3H3,(H,28,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF SOUTH FLORIDA US Patent					Assay Description IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay.				US Patent US9174969 (2015) BindingDB Entry DOI: 10.7270/Q20R9N65
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM111864 (US8623906, JHE-02-010C | US9174969, JHE-02-010C) Show SMILES CCOC(=O)C(NC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1)C(C)C Show InChI InChI=1S/C26H33ClN4O5S/c1-4-36-25(32)24(18(2)3)28-26(33)31-11-10-19-16-22(8-9-23(19)31)37(34,35)30-14-12-29(13-15-30)21-7-5-6-20(27)17-21/h5-9,16-18,24H,4,10-15H2,1-3H3,(H,28,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute, Inc. US Patent					Assay Description In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...				US Patent US8623906 (2014) BindingDB Entry DOI: 10.7270/Q22R3QB4
					More data for this Ligand-Target Pair