Compile Data Set for Download or QSAR

Found 7 hits of ic50 for monomerid = 50530248   

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))	BDBM50530248 (CHEMBL4450282 | US10975080, Example 29) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(NC5CCC5)c4Cl)c3c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C24H31ClN8O2/c1-13-19(26)24(12-35-13)7-10-33(11-8-24)23-29-20-16(22(34)32(23)2)18(30-31-20)15-6-9-27-21(17(15)25)28-14-4-3-5-14/h6,9,13-14,19H,3-5,7-8,10-12,26H2,1-2H3,(H,27,28)(H,30,31)/t13-,19+/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	35	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))	BDBM50530248 (CHEMBL4450282 | US10975080, Example 29) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(NC5CCC5)c4Cl)c3c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C24H31ClN8O2/c1-13-19(26)24(12-35-13)7-10-33(11-8-24)23-29-20-16(22(34)32(23)2)18(30-31-20)15-6-9-27-21(17(15)25)28-14-4-3-5-14/h6,9,13-14,19H,3-5,7-8,10-12,26H2,1-2H3,(H,27,28)(H,30,31)/t13-,19+/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	260	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))	BDBM50530248 (CHEMBL4450282 | US10975080, Example 29) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(NC5CCC5)c4Cl)c3c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C24H31ClN8O2/c1-13-19(26)24(12-35-13)7-10-33(11-8-24)23-29-20-16(22(34)32(23)2)18(30-31-20)15-6-9-27-21(17(15)25)28-14-4-3-5-14/h6,9,13-14,19H,3-5,7-8,10-12,26H2,1-2H3,(H,27,28)(H,30,31)/t13-,19+/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	260	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))	BDBM50530248 (CHEMBL4450282 | US10975080, Example 29) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(NC5CCC5)c4Cl)c3c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C24H31ClN8O2/c1-13-19(26)24(12-35-13)7-10-33(11-8-24)23-29-20-16(22(34)32(23)2)18(30-31-20)15-6-9-27-21(17(15)25)28-14-4-3-5-14/h6,9,13-14,19H,3-5,7-8,10-12,26H2,1-2H3,(H,27,28)(H,30,31)/t13-,19+/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	350	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))	BDBM50530248 (CHEMBL4450282 | US10975080, Example 29) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(NC5CCC5)c4Cl)c3c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C24H31ClN8O2/c1-13-19(26)24(12-35-13)7-10-33(11-8-24)23-29-20-16(22(34)32(23)2)18(30-31-20)15-6-9-27-21(17(15)25)28-14-4-3-5-14/h6,9,13-14,19H,3-5,7-8,10-12,26H2,1-2H3,(H,27,28)(H,30,31)/t13-,19+/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	350	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50530248 (CHEMBL4450282 | US10975080, Example 29) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(NC5CCC5)c4Cl)c3c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C24H31ClN8O2/c1-13-19(26)24(12-35-13)7-10-33(11-8-24)23-29-20-16(22(34)32(23)2)18(30-31-20)15-6-9-27-21(17(15)25)28-14-4-3-5-14/h6,9,13-14,19H,3-5,7-8,10-12,26H2,1-2H3,(H,27,28)(H,30,31)/t13-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human ERG by Q-patch 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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50530248 (CHEMBL4450282 | US10975080, Example 29) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(NC5CCC5)c4Cl)c3c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C24H31ClN8O2/c1-13-19(26)24(12-35-13)7-10-33(11-8-24)23-29-20-16(22(34)32(23)2)18(30-31-20)15-6-9-27-21(17(15)25)28-14-4-3-5-14/h6,9,13-14,19H,3-5,7-8,10-12,26H2,1-2H3,(H,27,28)(H,30,31)/t13-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human ERG by Q-patch 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