BDBM50373111 CHEMBL258935

SMILES: CC[C@]1(CCCCN(CCCCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1

InChI Key: InChIKey=VZGOFBLWSLPNDR-VSJLXWSYSA-N

Data: 2 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 2 hits for monomerid = 50373111   

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 (Mus musculus (mouse))	BDBM50373111 (CHEMBL258935) Show SMILES CC[C@]1(CCCCN(CCCCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1 Show InChI InChI=1S/C35H54N2O2/c1-3-34(30-16-14-18-32(38)26-30)20-8-12-24-36(28-34)22-10-6-5-7-11-23-37-25-13-9-21-35(4-2,29-37)31-17-15-19-33(39)27-31/h14-19,26-27,38-39H,3-13,20-25,28-29H2,1-2H3/t34-,35-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of mouse brain AChE				J Med Chem 51: 2027-36 (2008) Article DOI: 10.1021/jm070154q BindingDB Entry DOI: 10.7270/Q2C82B4G
					More data for this Ligand-Target Pair
Butyrylcholinesterase (Mus musculus (Mouse))	BDBM50373111 (CHEMBL258935) Show SMILES CC[C@]1(CCCCN(CCCCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1 Show InChI InChI=1S/C35H54N2O2/c1-3-34(30-16-14-18-32(38)26-30)20-8-12-24-36(28-34)22-10-6-5-7-11-23-37-25-13-9-21-35(4-2,29-37)31-17-15-19-33(39)27-31/h14-19,26-27,38-39H,3-13,20-25,28-29H2,1-2H3/t34-,35-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of mouse serum BChE				J Med Chem 51: 2027-36 (2008) Article DOI: 10.1021/jm070154q BindingDB Entry DOI: 10.7270/Q2C82B4G
					More data for this Ligand-Target Pair