BDBM50220320 1-((S)-3-(2,5-difluorophenyl)-5-(3-((S)-3-fluoropyrrolidin-1-yl)propyl)-5-phenyl-4,5-dihydropyrazol-1-yl)ethanone::CHEMBL240704
SMILES: CC(=O)N1N=C(C[C@@]1(CCCN1CC[C@H](F)C1)c1ccccc1)c1cc(F)ccc1F
InChI Key: InChIKey=PHEQKOZPWQBPMC-RDPSFJRHSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Kinesin-like protein 1 (Homo sapiens (Human)) | BDBM50220320 (1-((S)-3-(2,5-difluorophenyl)-5-(3-((S)-3-fluoropy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of KSP by ATPase assay | Bioorg Med Chem Lett 17: 5390-5 (2007) Article DOI: 10.1016/j.bmcl.2007.07.046 BindingDB Entry DOI: 10.7270/Q2RX9BSM | |||||||||||
More data for this Ligand-Target Pair |