BDBM50220968 1-((3R,3aR)-8-fluoro-3-phenyl-3a,4-dihydro-3H-5-oxa-1,9b-diaza-cyclopenta[a]naphthalen-2-yl)-ethanone::CHEMBL251103
SMILES: CC(=O)C1=NN2[C@@H](COc3ccc(F)cc23)[C@H]1c1ccccc1
InChI Key: InChIKey=ADYNHNURDOHRNB-DOTOQJQBSA-N
Data: 1 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 |
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Kinesin-like protein 1 (Homo sapiens (Human)) | BDBM50220968 (1-((3R,3aR)-8-fluoro-3-phenyl-3a,4-dihydro-3H-5-ox...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 155 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of kinesin spindle protein | Bioorg Med Chem Lett 17: 5671-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.067 BindingDB Entry DOI: 10.7270/Q261101N | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |