BDBM50320535 3-(4-Acetylbenzylidene)anabaseine::CHEMBL1164787

SMILES: CC(=O)c1ccc(C=C2CCCN=C2c2cccnc2)cc1

InChI Key: InChIKey=KWABOXSSSFHEGZ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50320535   

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))	BDBM50320535 (3-(4-Acetylbenzylidene)anabaseine | CHEMBL1164787) Show SMILES CC(=O)c1ccc(C=C2CCCN=C2c2cccnc2)cc1 |w:7.6,c:12| Show InChI InChI=1S/C19H18N2O/c1-14(22)16-8-6-15(7-9-16)12-17-4-3-11-21-19(17)18-5-2-10-20-13-18/h2,5-10,12-13H,3-4,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	223	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane after 3 hrs				Eur J Med Chem 45: 2433-46 (2010) Article DOI: 10.1016/j.ejmech.2010.02.027 BindingDB Entry DOI: 10.7270/Q27081M9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50320535 (3-(4-Acetylbenzylidene)anabaseine | CHEMBL1164787) Show SMILES CC(=O)c1ccc(C=C2CCCN=C2c2cccnc2)cc1 |w:7.6,c:12| Show InChI InChI=1S/C19H18N2O/c1-14(22)16-8-6-15(7-9-16)12-17-4-3-11-21-19(17)18-5-2-10-20-13-18/h2,5-10,12-13H,3-4,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	223	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane after 3 hrs				Eur J Med Chem 45: 2433-46 (2010) Article DOI: 10.1016/j.ejmech.2010.02.027 BindingDB Entry DOI: 10.7270/Q27081M9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50320535 (3-(4-Acetylbenzylidene)anabaseine | CHEMBL1164787) Show SMILES CC(=O)c1ccc(C=C2CCCN=C2c2cccnc2)cc1 |w:7.6,c:12| Show InChI InChI=1S/C19H18N2O/c1-14(22)16-8-6-15(7-9-16)12-17-4-3-11-21-19(17)18-5-2-10-20-13-18/h2,5-10,12-13H,3-4,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in rat brain membrane after 3 hrs				Eur J Med Chem 45: 2433-46 (2010) Article DOI: 10.1016/j.ejmech.2010.02.027 BindingDB Entry DOI: 10.7270/Q27081M9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50320535 (3-(4-Acetylbenzylidene)anabaseine | CHEMBL1164787) Show SMILES CC(=O)c1ccc(C=C2CCCN=C2c2cccnc2)cc1 |w:7.6,c:12| Show InChI InChI=1S/C19H18N2O/c1-14(22)16-8-6-15(7-9-16)12-17-4-3-11-21-19(17)18-5-2-10-20-13-18/h2,5-10,12-13H,3-4,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in rat brain membrane after 3 hrs				Eur J Med Chem 45: 2433-46 (2010) Article DOI: 10.1016/j.ejmech.2010.02.027 BindingDB Entry DOI: 10.7270/Q27081M9
					More data for this Ligand-Target Pair