BDBM50076629 13-methoxy-3-oxo-(2S)-10-oxatetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,13-tetraen-2-yl cyanide::CHEMBL176756

SMILES: COC1=CC2CCC1C1Oc3ccccc3C(=O)[C@]21C#N

InChI Key: InChIKey=UNBSASXLTQUUMJ-XAKQPEKYSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50076629   

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
Cholinesterases (Homo sapiens (Human))	BDBM50076629 (13-methoxy-3-oxo-(2S)-10-oxatetracyclo[10.2.2.02,1...) Show SMILES COC1=CC2CCC1C1Oc3ccccc3C(=O)[C@]21C#N |t:2,TLB:9:8:2.3:6.5,THB:16:18:2.3:6.5,19:18:2.3:6.5,1:2:18.8:6.5| Show InChI InChI=1S/C17H15NO3/c1-20-14-8-10-6-7-12(14)16-17(10,9-18)15(19)11-4-2-3-5-13(11)21-16/h2-5,8,10,12,16H,6-7H2,1H3/t10?,12?,16?,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description In vitro inhibitory activity against Butyrylcholinesterase				Bioorg Med Chem Lett 9: 973-8 (1999) BindingDB Entry DOI: 10.7270/Q22V2F91
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