BDBM50319946 (1S,4S)-2-(5-(benzofuran-5-yl)pyrazin-2-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane::CHEMBL1084021

SMILES: CN1C[C@@H]2C[C@H]1CN2c1cnc(cn1)-c1ccc2occc2c1

InChI Key: InChIKey=KHXAHSQUXZAHQC-GJZGRUSLSA-N

Data: 2 KI  1 EC50

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 = 50319946   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50319946 ((1S,4S)-2-(5-(benzofuran-5-yl)pyrazin-2-yl)-5-meth...) Show SMILES CN1C[C@@H]2C[C@H]1CN2c1cnc(cn1)-c1ccc2occc2c1 |r| Show InChI InChI=1S/C18H18N4O/c1-21-10-15-7-14(21)11-22(15)18-9-19-16(8-20-18)12-2-3-17-13(6-12)4-5-23-17/h2-6,8-9,14-15H,7,10-11H2,1H3/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Displacement of [3H]dofetidile from human ERG by whole-cell patch clamp				Bioorg Med Chem Lett 20: 3636-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.105 BindingDB Entry DOI: 10.7270/Q2MC905N
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50319946 ((1S,4S)-2-(5-(benzofuran-5-yl)pyrazin-2-yl)-5-meth...) Show SMILES CN1C[C@@H]2C[C@H]1CN2c1cnc(cn1)-c1ccc2occc2c1 |r| Show InChI InChI=1S/C18H18N4O/c1-21-10-15-7-14(21)11-22(15)18-9-19-16(8-20-18)12-2-3-17-13(6-12)4-5-23-17/h2-6,8-9,14-15H,7,10-11H2,1H3/t14-,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate				Bioorg Med Chem Lett 20: 3636-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.105 BindingDB Entry DOI: 10.7270/Q2MC905N
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50319946 ((1S,4S)-2-(5-(benzofuran-5-yl)pyrazin-2-yl)-5-meth...) Show SMILES CN1C[C@@H]2C[C@H]1CN2c1cnc(cn1)-c1ccc2occc2c1 |r| Show InChI InChI=1S/C18H18N4O/c1-21-10-15-7-14(21)11-22(15)18-9-19-16(8-20-18)12-2-3-17-13(6-12)4-5-23-17/h2-6,8-9,14-15H,7,10-11H2,1H3/t14-,15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nACHR expressed in Xenopus oocyte assessed as activation of current by voltage clamp method				Bioorg Med Chem Lett 20: 3636-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.105 BindingDB Entry DOI: 10.7270/Q2MC905N
					More data for this Ligand-Target Pair