Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 11' and Ligand = 'BDBM50530245'   

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))	BDBM50530245 (CHEMBL4539145 | US10975080, Example 15) Show SMILES Cn1c(nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O)N1CCC(C)(CN)CC1 Show InChI InChI=1S/C19H22Cl2N6O/c1-19(10-22)6-8-27(9-7-19)18-23-16-13(17(28)26(18)2)15(24-25-16)11-4-3-5-12(20)14(11)21/h3-5H,6-10,22H2,1-2H3,(H,24,25)	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	34	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as substrate preincubated for 30 ...				J Med Chem 62: 1781-1792 (2019) Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50530245 (CHEMBL4539145 | US10975080, Example 15) Show SMILES Cn1c(nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O)N1CCC(C)(CN)CC1 Show InChI InChI=1S/C19H22Cl2N6O/c1-19(10-22)6-8-27(9-7-19)18-23-16-13(17(28)26(18)2)15(24-25-16)11-4-3-5-12(20)14(11)21/h3-5H,6-10,22H2,1-2H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10975080 (2021) BindingDB Entry DOI: 10.7270/Q2TM7F60
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50530245 (CHEMBL4539145 | US10975080, Example 15) Show SMILES Cn1c(nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O)N1CCC(C)(CN)CC1 Show InChI InChI=1S/C19H22Cl2N6O/c1-19(10-22)6-8-27(9-7-19)18-23-16-13(17(28)26(18)2)15(24-25-16)11-4-3-5-12(20)14(11)21/h3-5H,6-10,22H2,1-2H3,(H,24,25)	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	34	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as substrate preincubated for 30 ...				J Med Chem 62: 1781-1792 (2019) Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50530245 (CHEMBL4539145 | US10975080, Example 15) Show SMILES Cn1c(nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O)N1CCC(C)(CN)CC1 Show InChI InChI=1S/C19H22Cl2N6O/c1-19(10-22)6-8-27(9-7-19)18-23-16-13(17(28)26(18)2)15(24-25-16)11-4-3-5-12(20)14(11)21/h3-5H,6-10,22H2,1-2H3,(H,24,25)	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	355	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of of SHP2 in human KYSE520 cells assessed as suppression of ERK phosphorylation after 2 hrs by AlphaScreen SureFire Phospho-ERK1/2 assay				J Med Chem 62: 1781-1792 (2019) Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50530245 (CHEMBL4539145 | US10975080, Example 15) Show SMILES Cn1c(nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O)N1CCC(C)(CN)CC1 Show InChI InChI=1S/C19H22Cl2N6O/c1-19(10-22)6-8-27(9-7-19)18-23-16-13(17(28)26(18)2)15(24-25-16)11-4-3-5-12(20)14(11)21/h3-5H,6-10,22H2,1-2H3,(H,24,25)	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	355	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of of SHP2 in human KYSE520 cells assessed as suppression of ERK phosphorylation after 2 hrs by AlphaScreen SureFire Phospho-ERK1/2 assay				J Med Chem 62: 1781-1792 (2019) Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD
					More data for this Ligand-Target Pair