BDBM209858 Danusertib::N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
SMILES: CO[C@@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1
InChI Key: InChIKey=XKFTZKGMDDZMJI-HSZRJFAPSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ephrin type-A receptor 2 (EPHA2) (Homo sapiens (Human)) | BDBM209858 (Danusertib | N-[5-[(2R)-2-methoxy-2-phenylacetyl]-...) | PDB GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Technical University of Munich | Assay Description Refer to Reaction Biology Corps. | ACS Chem Biol 11: 3400-3411 (2016) Article DOI: 10.1021/acschembio.6b00709 BindingDB Entry DOI: 10.7270/Q2TD9W5M | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Ephrin type-A receptor 2 (EPHA2) (Homo sapiens (Human)) | BDBM209858 (Danusertib | N-[5-[(2R)-2-methoxy-2-phenylacetyl]-...) | PDB GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a |
Technical University of Munich | Assay Description Kinobeads competition assays were performed in 96-well format as previously described using mixed protein lysates of four cancer cell lines (K-562, M... | ACS Chem Biol 11: 3400-3411 (2016) Article DOI: 10.1021/acschembio.6b00709 BindingDB Entry DOI: 10.7270/Q2TD9W5M | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |