BDBM50364857 CHEMBL1950171

SMILES: CN1CC2CN(CC2C1)c1ccc2oc3ccccc3c(=O)c2c1

InChI Key: InChIKey=WUJHMDPPANTBTQ-UHFFFAOYSA-N

Data: 3 KI  2 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 5 hits for monomerid = 50364857   

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))	BDBM50364857 (CHEMBL1950171) Show SMILES CN1CC2CN(CC2C1)c1ccc2oc3ccccc3c(=O)c2c1 Show InChI InChI=1S/C20H20N2O2/c1-21-9-13-11-22(12-14(13)10-21)15-6-7-19-17(8-15)20(23)16-4-2-3-5-18(16)24-19/h2-8,13-14H,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain				Bioorg Med Chem Lett 22: 1633-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.126 BindingDB Entry DOI: 10.7270/Q2D21Z2W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50364857 (CHEMBL1950171) Show SMILES CN1CC2CN(CC2C1)c1ccc2oc3ccccc3c(=O)c2c1 Show InChI InChI=1S/C20H20N2O2/c1-21-9-13-11-22(12-14(13)10-21)15-6-7-19-17(8-15)20(23)16-4-2-3-5-18(16)24-19/h2-8,13-14H,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]MLA from rat alpha7 nAChR				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50364857 (CHEMBL1950171) Show SMILES CN1CC2CN(CC2C1)c1ccc2oc3ccccc3c(=O)c2c1 Show InChI InChI=1S/C20H20N2O2/c1-21-9-13-11-22(12-14(13)10-21)15-6-7-19-17(8-15)20(23)16-4-2-3-5-18(16)24-19/h2-8,13-14H,9-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells				Bioorg Med Chem Lett 22: 1633-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.126 BindingDB Entry DOI: 10.7270/Q2D21Z2W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50364857 (CHEMBL1950171) Show SMILES CN1CC2CN(CC2C1)c1ccc2oc3ccccc3c(=O)c2c1 Show InChI InChI=1S/C20H20N2O2/c1-21-9-13-11-22(12-14(13)10-21)15-6-7-19-17(8-15)20(23)16-4-2-3-5-18(16)24-19/h2-8,13-14H,9-12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha4beta2 nAChR in HEK293 cells by FLIPR assay				Bioorg Med Chem Lett 22: 1633-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.126 BindingDB Entry DOI: 10.7270/Q2D21Z2W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50364857 (CHEMBL1950171) Show SMILES CN1CC2CN(CC2C1)c1ccc2oc3ccccc3c(=O)c2c1 Show InChI InChI=1S/C20H20N2O2/c1-21-9-13-11-22(12-14(13)10-21)15-6-7-19-17(8-15)20(23)16-4-2-3-5-18(16)24-19/h2-8,13-14H,9-12H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha7 nAChR expressed in xenopus oocytes by patch clamp assay				Bioorg Med Chem Lett 22: 1633-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.126 BindingDB Entry DOI: 10.7270/Q2D21Z2W
					More data for this Ligand-Target Pair