BDBM50006641 CHEMBL3235515

SMILES: CCC1N(C)CCc2cc(OC)c(OC)cc12

InChI Key: InChIKey=GMODQPOUSSZBSO-UHFFFAOYSA-N

Data: 1 KI  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 2 hits for monomerid = 50006641   

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
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50006641 (CHEMBL3235515) Show SMILES CCC1N(C)CCc2cc(OC)c(OC)cc12 Show InChI InChI=1S/C14H21NO2/c1-5-12-11-9-14(17-4)13(16-3)8-10(11)6-7-15(12)2/h8-9,12H,5-7H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha4/beta2 nAChR expressed in HEK293 cells				J Med Chem 56: 9673-82 (2014) Article DOI: 10.1021/jm4013592 BindingDB Entry DOI: 10.7270/Q2JS9RZK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2 (Mus musculus)	BDBM50006641 (CHEMBL3235515) Show SMILES CCC1N(C)CCc2cc(OC)c(OC)cc12 Show InChI InChI=1S/C14H21NO2/c1-5-12-11-9-14(17-4)13(16-3)8-10(11)6-7-15(12)2/h8-9,12H,5-7H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at mouse alpha4/beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane p...				J Med Chem 56: 9673-82 (2014) Article DOI: 10.1021/jm4013592 BindingDB Entry DOI: 10.7270/Q2JS9RZK
					More data for this Ligand-Target Pair