BDBM50397888 CHEMBL2179531

SMILES: Clc1ccoc1C(=O)N1CC2CNCC2C1

InChI Key: InChIKey=XXKYVKOMLITFKH-UHFFFAOYSA-N

Data: 4 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 5 hits for monomerid = 50397888   

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))	BDBM50397888 (CHEMBL2179531) Show SMILES Clc1ccoc1C(=O)N1CC2CNCC2C1 Show InChI InChI=1S/C11H13ClN2O2/c12-9-1-2-16-10(9)11(15)14-5-7-3-13-4-8(7)6-14/h1-2,7-8,13H,3-6H2	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	2	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM50397888 (CHEMBL2179531) Show SMILES Clc1ccoc1C(=O)N1CC2CNCC2C1 Show InChI InChI=1S/C11H13ClN2O2/c12-9-1-2-16-10(9)11(15)14-5-7-3-13-4-8(7)6-14/h1-2,7-8,13H,3-6H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	2.40	-11.6	n/a	n/a	n/a	n/a	n/a	n/a	21
Targacept, Inc. US Patent					Assay Description The binding of [3H]MLA was measured using a modification of the methods of Davies et al., Neuropharmacol. 38: 679 (1999). [3H]MLA (Specific Activity=...				US Patent US8921410 (2014) BindingDB Entry DOI: 10.7270/Q2QZ28PT
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50397888 (CHEMBL2179531) Show SMILES Clc1ccoc1C(=O)N1CC2CNCC2C1 Show InChI InChI=1S/C11H13ClN2O2/c12-9-1-2-16-10(9)11(15)14-5-7-3-13-4-8(7)6-14/h1-2,7-8,13H,3-6H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	2.80	-11.5	n/a	n/a	n/a	n/a	n/a	n/a	21
Targacept, Inc. US Patent					Assay Description The binding of [3H]MLA was measured using a modification of the methods of Davies et al., Neuropharmacol. 38: 679 (1999). [3H]MLA (Specific Activity=...				US Patent US8921410 (2014) BindingDB Entry DOI: 10.7270/Q2QZ28PT
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50397888 (CHEMBL2179531) Show SMILES Clc1ccoc1C(=O)N1CC2CNCC2C1 Show InChI InChI=1S/C11H13ClN2O2/c12-9-1-2-16-10(9)11(15)14-5-7-3-13-4-8(7)6-14/h1-2,7-8,13H,3-6H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60E+3	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 CHO cells after 2 hrs by liquid scintillation counting				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50397888 (CHEMBL2179531) Show SMILES Clc1ccoc1C(=O)N1CC2CNCC2C1 Show InChI InChI=1S/C11H13ClN2O2/c12-9-1-2-16-10(9)11(15)14-5-7-3-13-4-8(7)6-14/h1-2,7-8,13H,3-6H2	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	1.70E+4	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Agonist activity at alpha4beta2 nAChR in human SH-EP1 cells assessed as calcium flux by calcium4-based FLIPR assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair