BDBM50019146 CHEMBL3289073

SMILES: CCCCC#Cc1cncc(OC[C@@H]2CCCN2)c1

InChI Key: InChIKey=DORKRVDXEQSBGX-HNNXBMFYSA-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 = 50019146   

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))	BDBM50019146 (CHEMBL3289073) Show SMILES CCCCC#Cc1cncc(OC[C@@H]2CCCN2)c1 |r| Show InChI InChI=1S/C16H22N2O/c1-2-3-4-5-7-14-10-16(12-17-11-14)19-13-15-8-6-9-18-15/h10-12,15,18H,2-4,6,8-9,13H2,1H3/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]epibatadine from rat alpha4beta2 nAChR expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem Lett 24: 2954-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.036 BindingDB Entry DOI: 10.7270/Q27P910H
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat))	BDBM50019146 (CHEMBL3289073) Show SMILES CCCCC#Cc1cncc(OC[C@@H]2CCCN2)c1 |r| Show InChI InChI=1S/C16H22N2O/c1-2-3-4-5-7-14-10-16(12-17-11-14)19-13-15-8-6-9-18-15/h10-12,15,18H,2-4,6,8-9,13H2,1H3/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]epibatadine from rat alpha3beta4 nAChR expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem Lett 24: 2954-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.036 BindingDB Entry DOI: 10.7270/Q27P910H
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50019146 (CHEMBL3289073) Show SMILES CCCCC#Cc1cncc(OC[C@@H]2CCCN2)c1 |r| Show InChI InChI=1S/C16H22N2O/c1-2-3-4-5-7-14-10-16(12-17-11-14)19-13-15-8-6-9-18-15/h10-12,15,18H,2-4,6,8-9,13H2,1H3/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]epibatadine from rat alpha7 nAChR expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem Lett 24: 2954-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.036 BindingDB Entry DOI: 10.7270/Q27P910H
					More data for this Ligand-Target Pair