BDBM50398851 CHEMBL2177546

SMILES: CN1CC2CC(C1)C=C(C2)c1cncc(Oc2ccccc2)c1

InChI Key: InChIKey=JPNUKJAOPRHHRY-UHFFFAOYSA-N

Data: 2 KI  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 4 hits for monomerid = 50398851   

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))	BDBM50398851 (CHEMBL2177546) Show SMILES CN1CC2CC(C1)C=C(C2)c1cncc(Oc2ccccc2)c1 |c:8,THB:10:8:2.1.6:4| Show InChI InChI=1S/C20H22N2O/c1-22-13-15-7-16(14-22)9-17(8-15)18-10-20(12-21-11-18)23-19-5-3-2-4-6-19/h2-6,8,10-12,15-16H,7,9,13-14H2,1H3	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	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50398851 (CHEMBL2177546) Show SMILES CN1CC2CC(C1)C=C(C2)c1cncc(Oc2ccccc2)c1 |c:8,THB:10:8:2.1.6:4| Show InChI InChI=1S/C20H22N2O/c1-22-13-15-7-16(14-22)9-17(8-15)18-10-20(12-21-11-18)23-19-5-3-2-4-6-19/h2-6,8,10-12,15-16H,7,9,13-14H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha7 nAChR expressed in human HEK/RIC3 cells				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50398851 (CHEMBL2177546) Show SMILES CN1CC2CC(C1)C=C(C2)c1cncc(Oc2ccccc2)c1 |c:8,THB:10:8:2.1.6:4| Show InChI InChI=1S/C20H22N2O/c1-22-13-15-7-16(14-22)9-17(8-15)18-10-20(12-21-11-18)23-19-5-3-2-4-6-19/h2-6,8,10-12,15-16H,7,9,13-14H2,1H3	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	183	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Agonist activity at human alpha4beta2 nAChR high sensitivity form expressed in human SH-EP1 cells assessed as increase in calcium flux by FLIPR				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50398851 (CHEMBL2177546) Show SMILES CN1CC2CC(C1)C=C(C2)c1cncc(Oc2ccccc2)c1 |c:8,THB:10:8:2.1.6:4| Show InChI InChI=1S/C20H22N2O/c1-22-13-15-7-16(14-22)9-17(8-15)18-10-20(12-21-11-18)23-19-5-3-2-4-6-19/h2-6,8,10-12,15-16H,7,9,13-14H2,1H3	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+4	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Agonist activity at human alpha4beta2 nAChR low sensitivity form expressed in human SH-EP1 cells assessed as increase in calcium flux by FLIPR				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair