BDBM86543 CAS_156223-05-1::GTS-21::NSC_122225

SMILES: COc1ccc(C=C2CCCN=C2c2cccnc2)c(OC)c1

InChI Key: InChIKey=RPYWXZCFYPVCNQ-UHFFFAOYSA-N

Data: 3 KI

PDB links: 1 PDB ID matches this monomer.

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 = 86543   

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))	BDBM86543 (CAS_156223-05-1 | GTS-21 | NSC_122225) Show SMILES COc1ccc(C=C2CCCN=C2c2cccnc2)c(OC)c1 |w:6.5,c:11| Show InChI InChI=1S/C19H20N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3,6-9,11-13H,4-5,10H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	278	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 312: 619-26 (2005) Article DOI: 10.1124/jpet.104.075069 BindingDB Entry DOI: 10.7270/Q2BK19XS
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM86543 (CAS_156223-05-1 | GTS-21 | NSC_122225) Show SMILES COc1ccc(C=C2CCCN=C2c2cccnc2)c(OC)c1 |w:6.5,c:11| Show InChI InChI=1S/C19H20N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3,6-9,11-13H,4-5,10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	596	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 312: 619-26 (2005) Article DOI: 10.1124/jpet.104.075069 BindingDB Entry DOI: 10.7270/Q2BK19XS
					More data for this Ligand-Target Pair
Cholinergic, Nicotinic Alpha6Beta3Beta4Alpha5 (RAT)	BDBM86543 (CAS_156223-05-1 | GTS-21 | NSC_122225) Show SMILES COc1ccc(C=C2CCCN=C2c2cccnc2)c(OC)c1 |w:6.5,c:11| Show InChI InChI=1S/C19H20N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3,6-9,11-13H,4-5,10H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 312: 619-26 (2005) Article DOI: 10.1124/jpet.104.075069 BindingDB Entry DOI: 10.7270/Q2BK19XS
					More data for this Ligand-Target Pair