BDBM50019149 CHEMBL3289076

SMILES: [N-]=[N+]=NCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1

InChI Key: InChIKey=WMCQOHMAZRGKAL-AWEZNQCLSA-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 = 50019149   

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))	BDBM50019149 (CHEMBL3289076) Show SMILES [N-]=[N+]=NCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C15H19N5O/c16-20-19-7-4-2-1-3-5-13-9-15(11-17-10-13)21-12-14-6-8-18-14/h9-11,14,18H,1-2,4,6-8,12H2/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0860	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 (Rattus norvegicus (Rat))	BDBM50019149 (CHEMBL3289076) Show SMILES [N-]=[N+]=NCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C15H19N5O/c16-20-19-7-4-2-1-3-5-13-9-15(11-17-10-13)21-12-14-6-8-18-14/h9-11,14,18H,1-2,4,6-8,12H2/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70E+3	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
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat))	BDBM50019149 (CHEMBL3289076) Show SMILES [N-]=[N+]=NCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C15H19N5O/c16-20-19-7-4-2-1-3-5-13-9-15(11-17-10-13)21-12-14-6-8-18-14/h9-11,14,18H,1-2,4,6-8,12H2/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40E+3	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