BDBM50203722 CHEMBL3924642

SMILES: CN1CCC[C@H]1COc1cc(O)cc(c1)C#CCCCCO

InChI Key: InChIKey=BOJVQTHQAYWLPO-INIZCTEOSA-N

Data: 2 KI

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 = 50203722   

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))	BDBM50203722 (CHEMBL3924642) Show SMILES CN1CCC[C@H]1COc1cc(O)cc(c1)C#CCCCCO |r| Show InChI InChI=1S/C18H25NO3/c1-19-9-6-8-16(19)14-22-18-12-15(11-17(21)13-18)7-4-2-3-5-10-20/h11-13,16,20-21H,2-3,5-6,8-10,14H2,1H3/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]-epibatidine from alpha4beta2-nACHR in rat cerebral cortex membranes preincubated for 30 mins followed by overnight incubation wi...				Bioorg Med Chem Lett 26: 5613-5617 (2016) Article DOI: 10.1016/j.bmcl.2016.10.078 BindingDB Entry DOI: 10.7270/Q2RJ4MFR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha3/beta4 (Homo sapiens (Human))	BDBM50203722 (CHEMBL3924642) Show SMILES CN1CCC[C@H]1COc1cc(O)cc(c1)C#CCCCCO |r| Show InChI InChI=1S/C18H25NO3/c1-19-9-6-8-16(19)14-22-18-12-15(11-17(21)13-18)7-4-2-3-5-10-20/h11-13,16,20-21H,2-3,5-6,8-10,14H2,1H3/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]-epibatine from human alpha3beta4-nACHR expressed in HEK243 cell membranes preincubated for 5 mins followed by overnight incubati...				Bioorg Med Chem Lett 26: 5613-5617 (2016) Article DOI: 10.1016/j.bmcl.2016.10.078 BindingDB Entry DOI: 10.7270/Q2RJ4MFR
					More data for this Ligand-Target Pair