BDBM50368602 CHEMBL2448609

SMILES: O.CCCCCCNC(=O)Oc1ccc2CC3N(CCC)CC[C@@]3(C)c2c1.Cc1ccc(cc1)C(=O)OC(C(OC(=O)c1ccc(C)cc1)C(O)=O)C(O)=O

InChI Key: InChIKey=JPJMYWNUAFXUHN-NRJYIIMNSA-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 = 50368602   

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 (Homo sapiens (Human))	BDBM50368602 (CHEMBL2448609) Show SMILES O.CCCCCCNC(=O)Oc1ccc2CC3N(CCC)CC[C@@]3(C)c2c1.Cc1ccc(cc1)C(=O)OC(C(OC(=O)c1ccc(C)cc1)C(O)=O)C(O)=O Show InChI InChI=1S/C22H34N2O2.C20H18O8.H2O/c1-4-6-7-8-12-23-21(25)26-18-10-9-17-15-20-22(3,19(17)16-18)11-14-24(20)13-5-2;1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14;/h9-10,16,20H,4-8,11-15H2,1-3H3,(H,23,25);3-10,15-16H,1-2H3,(H,21,22)(H,23,24);1H2/t20?,22-;;/m0../s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Acetylcholinesterase				J Med Chem 35: 1429-34 (1992) BindingDB Entry DOI: 10.7270/Q2RN38GQ
					More data for this Ligand-Target Pair