BDBM50270405 CHEMBL4102579

SMILES: COc1ccc2CCN3CCCC3c2c1

InChI Key: InChIKey=XRXHNMAIEJGUEL-UHFFFAOYSA-N

Data: 3 KI  2 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 5 hits for monomerid = 50270405   

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))	BDBM50270405 (CHEMBL4102579) Show SMILES COc1ccc2CCN3CCCC3c2c1 Show InChI InChI=1S/C13H17NO/c1-15-11-5-4-10-6-8-14-7-2-3-13(14)12(10)9-11/h4-5,9,13H,2-3,6-8H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	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 alpha4beta2 nAChR expressed in HEK293 cell membranes after 4 hrs by scintillation counting method				J Med Chem 61: 1719-1729 (2018) Article DOI: 10.1021/acs.jmedchem.7b01895 BindingDB Entry DOI: 10.7270/Q2668GPB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit (Rattus norvegicus (Rat))	BDBM50270405 (CHEMBL4102579) Show SMILES COc1ccc2CCN3CCCC3c2c1 Show InChI InChI=1S/C13H17NO/c1-15-11-5-4-10-6-8-14-7-2-3-13(14)12(10)9-11/h4-5,9,13H,2-3,6-8H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.30E+3	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 alpha4beta4 nAChR expressed in HEK293 cell membranes after 4 hrs by scintillation counting method				J Med Chem 61: 1719-1729 (2018) Article DOI: 10.1021/acs.jmedchem.7b01895 BindingDB Entry DOI: 10.7270/Q2668GPB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat))	BDBM50270405 (CHEMBL4102579) Show SMILES COc1ccc2CCN3CCCC3c2c1 Show InChI InChI=1S/C13H17NO/c1-15-11-5-4-10-6-8-14-7-2-3-13(14)12(10)9-11/h4-5,9,13H,2-3,6-8H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	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 alpha3beta4 nAChR expressed in HEK293 cell membranes after 4 hrs by scintillation counting method				J Med Chem 61: 1719-1729 (2018) Article DOI: 10.1021/acs.jmedchem.7b01895 BindingDB Entry DOI: 10.7270/Q2668GPB
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor alpha-4/beta-2 (Mus musculus)	BDBM50270405 (CHEMBL4102579) Show SMILES COc1ccc2CCN3CCCC3c2c1 Show InChI InChI=1S/C13H17NO/c1-15-11-5-4-10-6-8-14-7-2-3-13(14)12(10)9-11/h4-5,9,13H,2-3,6-8H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ...				J Med Chem 61: 1719-1729 (2018) Article DOI: 10.1021/acs.jmedchem.7b01895 BindingDB Entry DOI: 10.7270/Q2668GPB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat))	BDBM50270405 (CHEMBL4102579) Show SMILES COc1ccc2CCN3CCCC3c2c1 Show InChI InChI=1S/C13H17NO/c1-15-11-5-4-10-6-8-14-7-2-3-13(14)12(10)9-11/h4-5,9,13H,2-3,6-8H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up to...				J Med Chem 61: 1719-1729 (2018) Article DOI: 10.1021/acs.jmedchem.7b01895 BindingDB Entry DOI: 10.7270/Q2668GPB
					More data for this Ligand-Target Pair