BDBM50320552 3-(4-n-Propylbenzylidene)anabaseine::CHEMBL1164685

SMILES: CCCc1ccc(\C=C2/CCCN=C2c2cccnc2)cc1

InChI Key: InChIKey=KZOCSDWLDTZKQH-NBVRZTHBSA-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 = 50320552   

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))	BDBM50320552 (3-(4-n-Propylbenzylidene)anabaseine | CHEMBL116468...) Show SMILES CCCc1ccc(\C=C2/CCCN=C2c2cccnc2)cc1 |c:12| Show InChI InChI=1S/C20H22N2/c1-2-5-16-8-10-17(11-9-16)14-18-6-4-13-22-20(18)19-7-3-12-21-15-19/h3,7-12,14-15H,2,4-6,13H2,1H3/b18-14+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	280	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))	BDBM50320552 (3-(4-n-Propylbenzylidene)anabaseine | CHEMBL116468...) Show SMILES CCCc1ccc(\C=C2/CCCN=C2c2cccnc2)cc1 |c:12| Show InChI InChI=1S/C20H22N2/c1-2-5-16-8-10-17(11-9-16)14-18-6-4-13-22-20(18)19-7-3-12-21-15-19/h3,7-12,14-15H,2,4-6,13H2,1H3/b18-14+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	280	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 protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50320552 (3-(4-n-Propylbenzylidene)anabaseine | CHEMBL116468...) Show SMILES CCCc1ccc(\C=C2/CCCN=C2c2cccnc2)cc1 |c:12| Show InChI InChI=1S/C20H22N2/c1-2-5-16-8-10-17(11-9-16)14-18-6-4-13-22-20(18)19-7-3-12-21-15-19/h3,7-12,14-15H,2,4-6,13H2,1H3/b18-14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	889	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))	BDBM50320552 (3-(4-n-Propylbenzylidene)anabaseine | CHEMBL116468...) Show SMILES CCCc1ccc(\C=C2/CCCN=C2c2cccnc2)cc1 |c:12| Show InChI InChI=1S/C20H22N2/c1-2-5-16-8-10-17(11-9-16)14-18-6-4-13-22-20(18)19-7-3-12-21-15-19/h3,7-12,14-15H,2,4-6,13H2,1H3/b18-14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	889	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