BDBM50399417 CHEMBL2178870

SMILES: O=C(Nc1ccccc1)OCCc1cc(on1)-c1cncc(OC[C@@H]2CCCN2)c1

InChI Key: InChIKey=RQPNQHQLEYYZLR-IBGZPJMESA-N

Data: 1 IC50  2 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 3 hits for monomerid = 50399417   

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 Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50399417 (CHEMBL2178870) Show SMILES O=C(Nc1ccccc1)OCCc1cc(on1)-c1cncc(OC[C@@H]2CCCN2)c1 |r| Show InChI InChI=1S/C22H24N4O4/c27-22(25-17-5-2-1-3-6-17)28-10-8-18-12-21(30-26-18)16-11-20(14-23-13-16)29-15-19-7-4-9-24-19/h1-3,5-6,11-14,19,24H,4,7-10,15H2,(H,25,27)/t19-/m0/s1	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	>100	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...				J Med Chem 55: 9998-10009 (2012) Article DOI: 10.1021/jm301177j BindingDB Entry DOI: 10.7270/Q2CJ8FM1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50399417 (CHEMBL2178870) Show SMILES O=C(Nc1ccccc1)OCCc1cc(on1)-c1cncc(OC[C@@H]2CCCN2)c1 |r| Show InChI InChI=1S/C22H24N4O4/c27-22(25-17-5-2-1-3-6-17)28-10-8-18-12-21(30-26-18)16-11-20(14-23-13-16)29-15-19-7-4-9-24-19/h1-3,5-6,11-14,19,24H,4,7-10,15H2,(H,25,27)/t19-/m0/s1	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	>100	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as stimulation of 86Rb+ efflux preincubated for 10 mins by liqui...				J Med Chem 55: 9998-10009 (2012) Article DOI: 10.1021/jm301177j BindingDB Entry DOI: 10.7270/Q2CJ8FM1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50399417 (CHEMBL2178870) Show SMILES O=C(Nc1ccccc1)OCCc1cc(on1)-c1cncc(OC[C@@H]2CCCN2)c1 |r| Show InChI InChI=1S/C22H24N4O4/c27-22(25-17-5-2-1-3-6-17)28-10-8-18-12-21(30-26-18)16-11-20(14-23-13-16)29-15-19-7-4-9-24-19/h1-3,5-6,11-14,19,24H,4,7-10,15H2,(H,25,27)/t19-/m0/s1	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	>100	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as stimulation of 86Rb+ efflux preincubated for 10 mins by liqui...				J Med Chem 55: 9998-10009 (2012) Article DOI: 10.1021/jm301177j BindingDB Entry DOI: 10.7270/Q2CJ8FM1
					More data for this Ligand-Target Pair