BDBM50398826 CHEMBL2178159

SMILES: COc1ccc(Oc2cncc(c2)C2=CC3CNCC(C3)C2)cc1

InChI Key: InChIKey=ZAGVNQCMOLWFKV-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50398826   

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 Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50398826 (CHEMBL2178159) Show SMILES COc1ccc(Oc2cncc(c2)C2=CC3CNCC(C3)C2)cc1 |t:14,TLB:11:13:18.17.16:20| Show InChI InChI=1S/C20H22N2O2/c1-23-18-2-4-19(5-3-18)24-20-9-17(12-22-13-20)16-7-14-6-15(8-16)11-21-10-14/h2-5,7,9,12-15,21H,6,8,10-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50398826 (CHEMBL2178159) Show SMILES COc1ccc(Oc2cncc(c2)C2=CC3CNCC(C3)C2)cc1 |t:14,TLB:11:13:18.17.16:20| Show InChI InChI=1S/C20H22N2O2/c1-23-18-2-4-19(5-3-18)24-20-9-17(12-22-13-20)16-7-14-6-15(8-16)11-21-10-14/h2-5,7,9,12-15,21H,6,8,10-11H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha7 nAChR expressed in human HEK/RIC3 cells				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair