BDBM50530250 CHEMBL4436233::US10975080, Example 32
SMILES: CNc1nccc(-c2n[nH]c3nc(N4CCC5(CO[C@@H](C)[C@H]5N)CC4)n(C)c(=O)c23)c1Cl
InChI Key: InChIKey=FUKFQTMBAFQLBS-MEDUHNTESA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae) | BDBM50530250 (CHEMBL4436233 | US10975080, Example 32) | 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 |
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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens) | BDBM50530250 (CHEMBL4436233 | US10975080, Example 32) | PDB KEGG 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens) | BDBM50530250 (CHEMBL4436233 | US10975080, Example 32) | PDB KEGG 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein-tyrosine phosphatase 2C (Homo sapiens (Human)) | BDBM50530250 (CHEMBL4436233 | US10975080, Example 32) | 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) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens) | BDBM50530250 (CHEMBL4436233 | US10975080, Example 32) | PDB KEGG 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae) | BDBM50530250 (CHEMBL4436233 | US10975080, Example 32) | 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 |
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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens) | BDBM50530250 (CHEMBL4436233 | US10975080, Example 32) | PDB KEGG 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 | |||||||||||
More data for this Ligand-Target Pair |