BDBM50170602 CHEMBL188462::[(E)-(S)-4-(5-Isopropoxy-pyridin-3-yl)-1-methyl-but-3-enyl]-methyl-amine

SMILES: CN[C@@H](C)C\C=C\c1cncc(OC(C)C)c1

InChI Key: InChIKey=RPCVIAXDAUMJJP-PZBABLGHSA-N

Data: 3 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 3 hits for monomerid = 50170602   

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 (Rattus norvegicus (Rat))	BDBM50170602 (CHEMBL188462 | [(E)-(S)-4-(5-Isopropoxy-pyridin-3-...) Show SMILES CN[C@@H](C)C\C=C\c1cncc(OC(C)C)c1 Show InChI InChI=1S/C14H22N2O/c1-11(2)17-14-8-13(9-16-10-14)7-5-6-12(3)15-4/h5,7-12,15H,6H2,1-4H3/b7-5+/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
The Danish University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Effective concentration against Nicotinic acetylcholine receptor alpha 7 in rat mid brain slices				J Med Chem 48: 4705-45 (2005) Article DOI: 10.1021/jm040219e BindingDB Entry DOI: 10.7270/Q29W0G79
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50170602 (CHEMBL188462 | [(E)-(S)-4-(5-Isopropoxy-pyridin-3-...) Show SMILES CN[C@@H](C)C\C=C\c1cncc(OC(C)C)c1 Show InChI InChI=1S/C14H22N2O/c1-11(2)17-14-8-13(9-16-10-14)7-5-6-12(3)15-4/h5,7-12,15H,6H2,1-4H3/b7-5+/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	106	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at human alpha4beta2 nAChR expressed in HEK293 cells incubated for 5 mins measured every second for 1 mins followed by every 5 secs ...				J Med Chem 56: 593-624 (2013) Article DOI: 10.1021/jm3011433 BindingDB Entry DOI: 10.7270/Q23B61GZ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50170602 (CHEMBL188462 | [(E)-(S)-4-(5-Isopropoxy-pyridin-3-...) Show SMILES CN[C@@H](C)C\C=C\c1cncc(OC(C)C)c1 Show InChI InChI=1S/C14H22N2O/c1-11(2)17-14-8-13(9-16-10-14)7-5-6-12(3)15-4/h5,7-12,15H,6H2,1-4H3/b7-5+/t12-/m0/s1	PDB 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+4	n/a	n/a	n/a	n/a
The Danish University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Effective concentration against Nicotinic acetylcholine receptor alpha 7				J Med Chem 48: 4705-45 (2005) Article DOI: 10.1021/jm040219e BindingDB Entry DOI: 10.7270/Q29W0G79
					More data for this Ligand-Target Pair