BDBM50346179 8-methyl-3-(pyrimidin-5-yl)-8-azabicyclo[3.2.1]oct-2-ene bis(2,2,2-trifluoroacetate)::CHEMBL1783888

SMILES: CN1C2CCC1C=C(C2)c1cncnc1

InChI Key: InChIKey=LCOBXTMNGOZASS-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50346179   

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 protein alpha-7 subunit (Mus musculus)	BDBM50346179 (8-methyl-3-(pyrimidin-5-yl)-8-azabicyclo[3.2.1]oct...) Show SMILES CN1C2CCC1C=C(C2)c1cncnc1 |c:7| Show InChI InChI=1S/C12H15N3/c1-15-11-2-3-12(15)5-9(4-11)10-6-13-8-14-7-10/h4,6-8,11-12H,2-3,5H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.10E+3	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 [125I]alpha-bungarotoxin from alpha7 nAChR in C57BL/6J mouse hippocampal membrane				Bioorg Med Chem Lett 19: 4359-63 (2009) Article DOI: 10.1016/j.bmcl.2009.05.085 BindingDB Entry DOI: 10.7270/Q2DJ5FZP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50346179 (8-methyl-3-(pyrimidin-5-yl)-8-azabicyclo[3.2.1]oct...) Show SMILES CN1C2CCC1C=C(C2)c1cncnc1 |c:7| Show InChI InChI=1S/C12H15N3/c1-15-11-2-3-12(15)5-9(4-11)10-6-13-8-14-7-10/h4,6-8,11-12H,2-3,5H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.00E+14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische Chemie der Philipps-Universit£t Marburg Curated by ChEMBL					Assay Description In vitro binding affinity towards (alpha-4)2(beta-2)3 neuronal nicotinic acetylcholine receptor in P2 membrane fractions of rat forebrain				J Med Chem 46: 2031-48 (2003) Article DOI: 10.1021/jm020859m BindingDB Entry DOI: 10.7270/Q2N87DHM
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50346179 (8-methyl-3-(pyrimidin-5-yl)-8-azabicyclo[3.2.1]oct...) Show SMILES CN1C2CCC1C=C(C2)c1cncnc1 |c:7| Show InChI InChI=1S/C12H15N3/c1-15-11-2-3-12(15)5-9(4-11)10-6-13-8-14-7-10/h4,6-8,11-12H,2-3,5H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.00E+14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische Chemie der Philipps-Universit£t Marburg Curated by ChEMBL					Assay Description In vitro binding affinity towards (alpha-4)2(beta-2)3 neuronal nicotinic acetylcholine receptor in P2 membrane fractions of rat forebrain				J Med Chem 46: 2031-48 (2003) Article DOI: 10.1021/jm020859m BindingDB Entry DOI: 10.7270/Q2N87DHM
					More data for this Ligand-Target Pair