BDBM50331011 1-(1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indolin-2-one::CHEMBL1276200

SMILES: CN1C2CCCC1CC(C2)N1C(=O)Cc2ccccc12

InChI Key: InChIKey=GIDZCNCCCWFCIN-UHFFFAOYSA-N

Data: 3 KI  1 IC50  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 5 hits for monomerid = 50331011   

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-3/Beta-4 (Rattus norvegicus (Rat))	BDBM50331011 (1-(1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indol...) Show SMILES CN1C2CCCC1CC(C2)N1C(=O)Cc2ccccc12 |TLB:10:8:1:3.5.4| Show InChI InChI=1S/C17H22N2O/c1-18-13-6-4-7-14(18)11-15(10-13)19-16-8-3-2-5-12(16)9-17(19)20/h2-3,5,8,13-15H,4,6-7,9-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	508	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 protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50331011 (1-(1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indol...) Show SMILES CN1C2CCCC1CC(C2)N1C(=O)Cc2ccccc12 |TLB:10:8:1:3.5.4| Show InChI InChI=1S/C17H22N2O/c1-18-13-6-4-7-14(18)11-15(10-13)19-16-8-3-2-5-12(16)9-17(19)20/h2-3,5,8,13-15H,4,6-7,9-11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+5	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 (Rattus norvegicus (Rat))	BDBM50331011 (1-(1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indol...) Show SMILES CN1C2CCCC1CC(C2)N1C(=O)Cc2ccccc12 |TLB:10:8:1:3.5.4| Show InChI InChI=1S/C17H22N2O/c1-18-13-6-4-7-14(18)11-15(10-13)19-16-8-3-2-5-12(16)9-17(19)20/h2-3,5,8,13-15H,4,6-7,9-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+5	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))	BDBM50331011 (1-(1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indol...) Show SMILES CN1C2CCCC1CC(C2)N1C(=O)Cc2ccccc12 |TLB:10:8:1:3.5.4| Show InChI InChI=1S/C17H22N2O/c1-18-13-6-4-7-14(18)11-15(10-13)19-16-8-3-2-5-12(16)9-17(19)20/h2-3,5,8,13-15H,4,6-7,9-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description 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
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat))	BDBM50331011 (1-(1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indol...) Show SMILES CN1C2CCCC1CC(C2)N1C(=O)Cc2ccccc12 |TLB:10:8:1:3.5.4| Show InChI InChI=1S/C17H22N2O/c1-18-13-6-4-7-14(18)11-15(10-13)19-16-8-3-2-5-12(16)9-17(19)20/h2-3,5,8,13-15H,4,6-7,9-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Antagonist activity at rat alpha3beta4 nAChR expressed in HEK292 cells assessed as inhibition of epibatidine-induced 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