BDBM50006644 CHEMBL3235517

SMILES: COc1cc2CCN(C)C(c3ccccc3)c2cc1OC

InChI Key: InChIKey=RGWXPKHNJZAKID-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 = 50006644   

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))	BDBM50006644 (CHEMBL3235517) Show SMILES COc1cc2CCN(C)C(c3ccccc3)c2cc1OC Show InChI InChI=1S/C18H21NO2/c1-19-10-9-14-11-16(20-2)17(21-3)12-15(14)18(19)13-7-5-4-6-8-13/h4-8,11-12,18H,9-10H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+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)	BDBM50006644 (CHEMBL3235517) Show SMILES COc1cc2CCN(C)C(c3ccccc3)c2cc1OC Show InChI InChI=1S/C18H21NO2/c1-19-10-9-14-11-16(20-2)17(21-3)12-15(14)18(19)13-7-5-4-6-8-13/h4-8,11-12,18H,9-10H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem 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