BDBM50380100 CHEMBL2012937

SMILES: O=C(CCCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1

InChI Key: InChIKey=PKCLBDSDKDRNJH-UHFFFAOYSA-N

Data: 3 KI

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 = 50380100   

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))	BDBM50380100 (CHEMBL2012937) Show SMILES O=C(CCCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C21H27N3O2/c25-21(6-2-1-3-12-24-13-15-26-16-14-24)23-20-9-7-18(8-10-20)19-5-4-11-22-17-19/h4-5,7-11,17H,1-3,6,12-16H2,(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK292 cells after 4 hrs by liquid scintillation counting				Bioorg Med Chem Lett 22: 2380-4 (2012) Article DOI: 10.1016/j.bmcl.2012.02.052 BindingDB Entry DOI: 10.7270/Q23779QR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50380100 (CHEMBL2012937) Show SMILES O=C(CCCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C21H27N3O2/c25-21(6-2-1-3-12-24-13-15-26-16-14-24)23-20-9-7-18(8-10-20)19-5-4-11-22-17-19/h4-5,7-11,17H,1-3,6,12-16H2,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha7 nAChR expressed in HEK292 cells after 4 hrs by liquid scintillation counting				Bioorg Med Chem Lett 22: 2380-4 (2012) Article DOI: 10.1016/j.bmcl.2012.02.052 BindingDB Entry DOI: 10.7270/Q23779QR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat))	BDBM50380100 (CHEMBL2012937) Show SMILES O=C(CCCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C21H27N3O2/c25-21(6-2-1-3-12-24-13-15-26-16-14-24)23-20-9-7-18(8-10-20)19-5-4-11-22-17-19/h4-5,7-11,17H,1-3,6,12-16H2,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK292 cells after 4 hrs by liquid scintillation counting				Bioorg Med Chem Lett 22: 2380-4 (2012) Article DOI: 10.1016/j.bmcl.2012.02.052 BindingDB Entry DOI: 10.7270/Q23779QR
					More data for this Ligand-Target Pair