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 = 'BDBM50530250'   

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))	BDBM50530250 (CHEMBL4436233 | US10975080, Example 32) Show SMILES CNc1nccc(-c2n[nH]c3nc(N4CCC5(CO[C@@H](C)[C@H]5N)CC4)n(C)c(=O)c23)c1Cl |r| Show InChI InChI=1S/C21H27ClN8O2/c1-11-16(23)21(10-32-11)5-8-30(9-6-21)20-26-17-13(19(31)29(20)3)15(27-28-17)12-4-7-25-18(24-2)14(12)22/h4,7,11,16H,5-6,8-10,23H2,1-3H3,(H,24,25)(H,27,28)/t11-,16+/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	22	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))	BDBM50530250 (CHEMBL4436233 | US10975080, Example 32) Show SMILES CNc1nccc(-c2n[nH]c3nc(N4CCC5(CO[C@@H](C)[C@H]5N)CC4)n(C)c(=O)c23)c1Cl |r| Show InChI InChI=1S/C21H27ClN8O2/c1-11-16(23)21(10-32-11)5-8-30(9-6-21)20-26-17-13(19(31)29(20)3)15(27-28-17)12-4-7-25-18(24-2)14(12)22/h4,7,11,16H,5-6,8-10,23H2,1-3H3,(H,24,25)(H,27,28)/t11-,16+/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	22	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))	BDBM50530250 (CHEMBL4436233 | US10975080, Example 32) Show SMILES CNc1nccc(-c2n[nH]c3nc(N4CCC5(CO[C@@H](C)[C@H]5N)CC4)n(C)c(=O)c23)c1Cl |r| Show InChI InChI=1S/C21H27ClN8O2/c1-11-16(23)21(10-32-11)5-8-30(9-6-21)20-26-17-13(19(31)29(20)3)15(27-28-17)12-4-7-25-18(24-2)14(12)22/h4,7,11,16H,5-6,8-10,23H2,1-3H3,(H,24,25)(H,27,28)/t11-,16+/m0/s1	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	54	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))	BDBM50530250 (CHEMBL4436233 | US10975080, Example 32) Show SMILES CNc1nccc(-c2n[nH]c3nc(N4CCC5(CO[C@@H](C)[C@H]5N)CC4)n(C)c(=O)c23)c1Cl |r| Show InChI InChI=1S/C21H27ClN8O2/c1-11-16(23)21(10-32-11)5-8-30(9-6-21)20-26-17-13(19(31)29(20)3)15(27-28-17)12-4-7-25-18(24-2)14(12)22/h4,7,11,16H,5-6,8-10,23H2,1-3H3,(H,24,25)(H,27,28)/t11-,16+/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	55	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))	BDBM50530250 (CHEMBL4436233 | US10975080, Example 32) Show SMILES CNc1nccc(-c2n[nH]c3nc(N4CCC5(CO[C@@H](C)[C@H]5N)CC4)n(C)c(=O)c23)c1Cl |r| Show InChI InChI=1S/C21H27ClN8O2/c1-11-16(23)21(10-32-11)5-8-30(9-6-21)20-26-17-13(19(31)29(20)3)15(27-28-17)12-4-7-25-18(24-2)14(12)22/h4,7,11,16H,5-6,8-10,23H2,1-3H3,(H,24,25)(H,27,28)/t11-,16+/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	55	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