BDBM50339621 3-[(methylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl}-5-(trifluoromethyl)benzamide::CHEMBL1688876
SMILES: CNCc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
InChI Key: InChIKey=CHOXZXLXXUVMGG-OAQYLSRUSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Serine/threonine-protein kinase B-raf (Homo sapiens (Human)) | BDBM50339621 (3-[(methylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,8-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States. Curated by ChEMBL | Assay Description Inhibition of CDK2/Cyclin E (unknown origin) | Bioorg Med Chem Lett 26: 1156-60 (2016) BindingDB Entry DOI: 10.7270/Q29P33HD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human)) | BDBM50339621 (3-[(methylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,8-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibition of raf kinase in human A375 cells assessed as decrease in MEK-mediated ERK phosphorylation after 3 hrs using 3,3',5,5'-tetramethylbenzidin... | J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae) | BDBM50339621 (3-[(methylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,8-...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States. Curated by ChEMBL | Assay Description Inhibition of CDK2/Cyclin E (unknown origin) | Bioorg Med Chem Lett 26: 1156-60 (2016) BindingDB Entry DOI: 10.7270/Q29P33HD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase B-raf (Homo sapiens (Human)) | BDBM50339621 (3-[(methylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,8-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States. Curated by ChEMBL | Assay Description Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3... | Bioorg Med Chem Lett 26: 1156-60 (2016) BindingDB Entry DOI: 10.7270/Q29P33HD | |||||||||||
More data for this Ligand-Target Pair |