BDBM50331016 6-benzyl-3-(pyridin-3-yl)-6-azabicyclo[3.2.2]non-2-ene::CHEMBL1277968

SMILES: C(N1CC2CCC1CC(=C2)c1cccnc1)c1ccccc1

InChI Key: InChIKey=CRKOAXCURNCJRQ-UHFFFAOYSA-N

Data: 3 KI  1 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 = 50331016   

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))	BDBM50331016 (6-benzyl-3-(pyridin-3-yl)-6-azabicyclo[3.2.2]non-2...) Show SMILES C(N1CC2CCC1CC(=C2)c1cccnc1)c1ccccc1 |c:9| Show InChI InChI=1S/C20H22N2/c1-2-5-16(6-3-1)14-22-15-17-8-9-20(22)12-19(11-17)18-7-4-10-21-13-18/h1-7,10-11,13,17,20H,8-9,12,14-15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK292 cells after 3 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat))	BDBM50331016 (6-benzyl-3-(pyridin-3-yl)-6-azabicyclo[3.2.2]non-2...) Show SMILES C(N1CC2CCC1CC(=C2)c1cccnc1)c1ccccc1 |c:9| Show InChI InChI=1S/C20H22N2/c1-2-5-16(6-3-1)14-22-15-17-8-9-20(22)12-19(11-17)18-7-4-10-21-13-18/h1-7,10-11,13,17,20H,8-9,12,14-15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK292 cells after 3 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50331016 (6-benzyl-3-(pyridin-3-yl)-6-azabicyclo[3.2.2]non-2...) Show SMILES C(N1CC2CCC1CC(=C2)c1cccnc1)c1ccccc1 |c:9| Show InChI InChI=1S/C20H22N2/c1-2-5-16(6-3-1)14-22-15-17-8-9-20(22)12-19(11-17)18-7-4-10-21-13-18/h1-7,10-11,13,17,20H,8-9,12,14-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	424	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha7 nAChR in rat brain membranes after 2 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat))	BDBM50331016 (6-benzyl-3-(pyridin-3-yl)-6-azabicyclo[3.2.2]non-2...) Show SMILES C(N1CC2CCC1CC(=C2)c1cccnc1)c1ccccc1 |c:9| Show InChI InChI=1S/C20H22N2/c1-2-5-16(6-3-1)14-22-15-17-8-9-20(22)12-19(11-17)18-7-4-10-21-13-18/h1-7,10-11,13,17,20H,8-9,12,14-15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Partial agonist activity at rat alpha3beta4 nAChR expressed in HEK292 cells assessed as increase of calcium influx by FLIPR assay				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair