BDBM50430241 CHEMBL2332488

SMILES: CN(C)CCCn1c2ccccc2c(-c2ccccc2)c(C#N)c1=O

InChI Key: InChIKey=RQAGIIPBHMAHTO-UHFFFAOYSA-N

Data: 1 IC50  3 EC50

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 4 hits for monomerid = 50430241   

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 (Rattus norvegicus (Rat))	BDBM50430241 (CHEMBL2332488) Show SMILES CN(C)CCCn1c2ccccc2c(-c2ccccc2)c(C#N)c1=O Show InChI InChI=1S/C21H21N3O/c1-23(2)13-8-14-24-19-12-7-6-11-17(19)20(18(15-22)21(24)25)16-9-4-3-5-10-16/h3-7,9-12H,8,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50430241 (CHEMBL2332488) Show SMILES CN(C)CCCn1c2ccccc2c(-c2ccccc2)c(C#N)c1=O Show InChI InChI=1S/C21H21N3O/c1-23(2)13-8-14-24-19-12-7-6-11-17(19)20(18(15-22)21(24)25)16-9-4-3-5-10-16/h3-7,9-12H,8,13-14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at alpha4beta2 nAChR (unknown origin)				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50430241 (CHEMBL2332488) Show SMILES CN(C)CCCn1c2ccccc2c(-c2ccccc2)c(C#N)c1=O Show InChI InChI=1S/C21H21N3O/c1-23(2)13-8-14-24-19-12-7-6-11-17(19)20(18(15-22)21(24)25)16-9-4-3-5-10-16/h3-7,9-12H,8,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 5HT3 receptor (unknown origin)				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50430241 (CHEMBL2332488) Show SMILES CN(C)CCCn1c2ccccc2c(-c2ccccc2)c(C#N)c1=O Show InChI InChI=1S/C21H21N3O/c1-23(2)13-8-14-24-19-12-7-6-11-17(19)20(18(15-22)21(24)25)16-9-4-3-5-10-16/h3-7,9-12H,8,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as area under the curve of acetylcholine-induced response by whole-cell patch...				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair