BDBM36474 (S)-3-(2,2-Dimethyl-4H-benzo[d][1,3]dioxin-6-yl)-2-(4-ethoxy-6-(6-(1,2,3,4-tetrahydroquinoline-1-carbonyl)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazin-2-ylamino)-N-methylpropanamide::DEL-B, 14b
SMILES: CCOc1nc(N[C@@H](Cc2ccc3OC(C)(C)OCc3c2)C(=O)NC)nc(n1)-n1cnc2ccc(cc12)C(=O)N1CCCc2ccccc12
InChI Key: InChIKey=IIOQBYZRVQSNSJ-MHZLTWQESA-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 |
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Mitogen-activated protein kinase 14 (Homo sapiens (Human)) | BDBM36474 ((S)-3-(2,2-Dimethyl-4H-benzo[d][1,3]dioxin-6-yl)-2...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | n/a | <8 | n/a | n/a | 9.5 | 16 |
Praecis Pharmaceuticals | Assay Description Selection of DNA-encoded libraries (DELs), which are covalent attachment of encoding double stranded DNA to small-molecule created using a combinatio... | Nat Chem Biol 5: 647-54 (2009) Article DOI: 10.1038/nchembio.211 BindingDB Entry DOI: 10.7270/Q2MP51NX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |