BDBM396010 US10308660, Example 111
SMILES: C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccnc3C(F)(F)F)c(=O)n2C)[C@@H]1N
InChI Key: InChIKey=NNUUVQNSRWHSDO-SWLSCSKDSA-N
Data: 7 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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)) | BDBM396010 (US10308660, Example 111) | 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 | 41 | 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 | |||||||||||||
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae) | BDBM396010 (US10308660, Example 111) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of human ERG | J Med Chem 62: 1793-1802 (2019) Article DOI: 10.1021/acs.jmedchem.8b01726 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens) | BDBM396010 (US10308660, Example 111) | PDB KEGG GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 26 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae) | BDBM396010 (US10308660, Example 111) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of human ERG | J Med Chem 62: 1793-1802 (2019) Article DOI: 10.1021/acs.jmedchem.8b01726 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens) | BDBM396010 (US10308660, Example 111) | PDB KEGG GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 26 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens) | BDBM396010 (US10308660, Example 111) | PDB KEGG GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 96 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens) | BDBM396010 (US10308660, Example 111) | PDB KEGG GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 96 | 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 | |||||||||||
More data for this Ligand-Target Pair |