BDBM50005760 (+/-)-Heptyl-carbamic acid 1-benzyl-3a-methyl-1,2,3,3a,8,8a-hexahydro-1-aza-cyclopenta[a]inden-5-yl ester::CHEMBL288549

SMILES: CCCCCCCNC(=O)Oc1ccc2CC3N(Cc4ccccc4)CC[C@@]3(C)c2c1

InChI Key: InChIKey=AVAFJTWXTNBJNG-GPNIZQGCSA-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 = 50005760   

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))	BDBM50005760 ((+/-)-Heptyl-carbamic acid 1-benzyl-3a-methyl-1,2,...) Show SMILES CCCCCCCNC(=O)Oc1ccc2CC3N(Cc4ccccc4)CC[C@@]3(C)c2c1 Show InChI InChI=1S/C27H36N2O2/c1-3-4-5-6-10-16-28-26(30)31-23-14-13-22-18-25-27(2,24(22)19-23)15-17-29(25)20-21-11-8-7-9-12-21/h7-9,11-14,19,25H,3-6,10,15-18,20H2,1-2H3,(H,28,30)/t25?,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	506	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