BDBM50006642 CHEMBL2385327

SMILES: CCCCC1N(C)CCc2cc(OC)c(OC)cc12

InChI Key: InChIKey=NPULCXWRRAUQLC-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 = 50006642   

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))	BDBM50006642 (CHEMBL2385327) Show SMILES CCCCC1N(C)CCc2cc(OC)c(OC)cc12 Show InChI InChI=1S/C16H25NO2/c1-5-6-7-14-13-11-16(19-4)15(18-3)10-12(13)8-9-17(14)2/h10-11,14H,5-9H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+4	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)	BDBM50006642 (CHEMBL2385327) Show SMILES CCCCC1N(C)CCc2cc(OC)c(OC)cc12 Show InChI InChI=1S/C16H25NO2/c1-5-6-7-14-13-11-16(19-4)15(18-3)10-12(13)8-9-17(14)2/h10-11,14H,5-9H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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