BDBM50443434 CHEMBL3087422

SMILES: COc1ccc(cc1)-c1coc2c\c(ccc2c1[O-])=[O+]\c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O

InChI Key: InChIKey=GTGNTKGJBWVPCE-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50443434   

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))	BDBM50443434 (CHEMBL3087422) Show SMILES COc1ccc(cc1)-c1coc2c\c(ccc2c1[O-])=[O+]\c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C23H13F3N2O8/c1-34-14-4-2-12(3-5-14)17-11-35-20-10-15(6-7-16(20)21(17)29)36-22-18(27(30)31)8-13(23(24,25)26)9-19(22)28(32)33/h2-11H,1H3	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	168	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged microtubule-stimulated KSP motor domain (1 to 369) ATPase activity (unknown origin) preincubated for 30 mins foll...				Eur J Med Chem 70: 427-33 (2013) Article DOI: 10.1016/j.ejmech.2013.09.042 BindingDB Entry DOI: 10.7270/Q289179H
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