BDBM50201171 (1S,9R)-1-amino-13-[2-hydroxy-eth-(E)-ylidene]-11-methyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7),3,10-trien-5-one::CHEMBL394586

SMILES: CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@](N)(C1)\C2=C\CO

InChI Key: InChIKey=JNMUAFHKBRVTFG-FSKXRIKSSA-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 = 50201171   

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
Acetylcholinesterase (Bos taurus (bovine))	BDBM50201171 ((1S,9R)-1-amino-13-[2-hydroxy-eth-(E)-ylidene]-11-...) Show SMILES CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@](N)(C1)\C2=C\CO |t:1,THB:16:15:11.5.4:2.14.1| Show InChI InChI=1S/C15H18N2O2/c1-9-6-10-7-13-12(2-3-14(19)17-13)15(16,8-9)11(10)4-5-18/h2-4,6,10,18H,5,7-8,16H2,1H3,(H,17,19)/b11-4+/t10-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoshi University Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte acetylcholinesterase				Bioorg Med Chem 15: 1703-7 (2007) Article DOI: 10.1016/j.bmc.2006.12.005 BindingDB Entry DOI: 10.7270/Q2X929XP
					More data for this Ligand-Target Pair