BDBM50005775 CHEMBL32966::Heptyl-carbamic acid 1,3a-dimethyl-1,2,3,3a,8,8a-hexahydro-1-aza-cyclopenta[a]inden-5-yl ester

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

InChI Key: InChIKey=MCAQWHWWQNEHOE-QWAKEFERSA-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 = 50005775   

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))	BDBM50005775 (CHEMBL32966 | Heptyl-carbamic acid 1,3a-dimethyl-1...) Show SMILES CCCCCCCNC(=O)Oc1ccc2CC3N(C)CC[C@@]3(C)c2c1 Show InChI InChI=1S/C21H32N2O2/c1-4-5-6-7-8-12-22-20(24)25-17-10-9-16-14-19-21(2,18(16)15-17)11-13-23(19)3/h9-10,15,19H,4-8,11-14H2,1-3H3,(H,22,24)/t19?,21-/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	114	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 AchE (Acetylcholinesterase)				J Med Chem 35: 1429-34 (1992) BindingDB Entry DOI: 10.7270/Q2RN38GQ
					More data for this Ligand-Target Pair