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 = 'BDBM395956'   

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))	BDBM395956 (US10308660, Example 32) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3ccnc(C4CC4)c3Cl)c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C22H29ClN6O2S/c1-12-18(24)22(11-31-12)6-9-29(10-7-22)21-27-19(25)17(20(30)28(21)2)32-14-5-8-26-16(15(14)23)13-3-4-13/h5,8,12-13,18H,3-4,6-7,9-11,24-25H2,1-2H3/t12-,18+/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	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of SHP2 in human KYSE520 cells assessed as reduction in ERK phosphorylation after 2 hrs by SureFire p-ERK assay				J Med Chem 62: 1793-1802 (2019) Article DOI: 10.1021/acs.jmedchem.8b01726 BindingDB Entry DOI: 10.7270/Q29K4FQK
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM395956 (US10308660, Example 32) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3ccnc(C4CC4)c3Cl)c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C22H29ClN6O2S/c1-12-18(24)22(11-31-12)6-9-29(10-7-22)21-27-19(25)17(20(30)28(21)2)32-14-5-8-26-16(15(14)23)13-3-4-13/h5,8,12-13,18H,3-4,6-7,9-11,24-25H2,1-2H3/t12-,18+/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	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of SHP2 in human KYSE520 cells assessed as reduction in ERK phosphorylation after 2 hrs by SureFire p-ERK assay				J Med Chem 62: 1793-1802 (2019) Article DOI: 10.1021/acs.jmedchem.8b01726 BindingDB Entry DOI: 10.7270/Q29K4FQK
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM395956 (US10308660, Example 32) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3ccnc(C4CC4)c3Cl)c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C22H29ClN6O2S/c1-12-18(24)22(11-31-12)6-9-29(10-7-22)21-27-19(25)17(20(30)28(21)2)32-14-5-8-26-16(15(14)23)13-3-4-13/h5,8,12-13,18H,3-4,6-7,9-11,24-25H2,1-2H3/t12-,18+/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	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA 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 surrogate substrate as preincu...				J Med Chem 62: 1793-1802 (2019) Article DOI: 10.1021/acs.jmedchem.8b01726 BindingDB Entry DOI: 10.7270/Q29K4FQK
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM395956 (US10308660, Example 32) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3ccnc(C4CC4)c3Cl)c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C22H29ClN6O2S/c1-12-18(24)22(11-31-12)6-9-29(10-7-22)21-27-19(25)17(20(30)28(21)2)32-14-5-8-26-16(15(14)23)13-3-4-13/h5,8,12-13,18H,3-4,6-7,9-11,24-25H2,1-2H3/t12-,18+/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	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA 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 surrogate substrate as preincu...				J Med Chem 62: 1793-1802 (2019) Article DOI: 10.1021/acs.jmedchem.8b01726 BindingDB Entry DOI: 10.7270/Q29K4FQK
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM395956 (US10308660, Example 32) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3ccnc(C4CC4)c3Cl)c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C22H29ClN6O2S/c1-12-18(24)22(11-31-12)6-9-29(10-7-22)21-27-19(25)17(20(30)28(21)2)32-14-5-8-26-16(15(14)23)13-3-4-13/h5,8,12-13,18H,3-4,6-7,9-11,24-25H2,1-2H3/t12-,18+/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	17	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				Bioorg Med Chem Lett 19: 3445-8 (2009) BindingDB Entry DOI: 10.7270/Q27S7R48
					More data for this Ligand-Target Pair