BDBM50387569 CHEMBL2057714

SMILES: C1CN2CCC1C21CCN(C1)c1cccnc1

InChI Key: InChIKey=LIWBYJGLHCGRCM-UHFFFAOYSA-N

Data: 3 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 4 hits for monomerid = 50387569   

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))	BDBM50387569 (CHEMBL2057714) Show SMILES C1CN2CCC1C21CCN(C1)c1cccnc1 |TLB:10:6:0.1:3.4,THB:7:6:0.1:3.4| Show InChI InChI=1S/C14H19N3/c1-2-13(10-15-6-1)16-9-5-14(11-16)12-3-7-17(14)8-4-12/h1-2,6,10,12H,3-5,7-9,11H2	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	10	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 nAChR alpha4beta2 expressed in human SH-EP1 cells				Bioorg Med Chem Lett 22: 5089-92 (2012) Article DOI: 10.1016/j.bmcl.2012.05.108 BindingDB Entry DOI: 10.7270/Q24X58W1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha3/beta4 (Homo sapiens (Human))	BDBM50387569 (CHEMBL2057714) Show SMILES C1CN2CCC1C21CCN(C1)c1cccnc1 |TLB:10:6:0.1:3.4,THB:7:6:0.1:3.4| Show InChI InChI=1S/C14H19N3/c1-2-13(10-15-6-1)16-9-5-14(11-16)12-3-7-17(14)8-4-12/h1-2,6,10,12H,3-5,7-9,11H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Binding affinity to human ganglionic nAChR alpha3beta4 expressed in human SHSY-5Y cells				Bioorg Med Chem Lett 22: 5089-92 (2012) Article DOI: 10.1016/j.bmcl.2012.05.108 BindingDB Entry DOI: 10.7270/Q24X58W1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50387569 (CHEMBL2057714) Show SMILES C1CN2CCC1C21CCN(C1)c1cccnc1 |TLB:10:6:0.1:3.4,THB:7:6:0.1:3.4| Show InChI InChI=1S/C14H19N3/c1-2-13(10-15-6-1)16-9-5-14(11-16)12-3-7-17(14)8-4-12/h1-2,6,10,12H,3-5,7-9,11H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Binding affinity to human nAChR alpha7 expressed in HEK cells coexpressing RIC3				Bioorg Med Chem Lett 22: 5089-92 (2012) Article DOI: 10.1016/j.bmcl.2012.05.108 BindingDB Entry DOI: 10.7270/Q24X58W1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha3/beta4 (Homo sapiens (Human))	BDBM50387569 (CHEMBL2057714) Show SMILES C1CN2CCC1C21CCN(C1)c1cccnc1 |TLB:10:6:0.1:3.4,THB:7:6:0.1:3.4| Show InChI InChI=1S/C14H19N3/c1-2-13(10-15-6-1)16-9-5-14(11-16)12-3-7-17(14)8-4-12/h1-2,6,10,12H,3-5,7-9,11H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human ganglionic nAChR alpha3beta4 expressed in human SHSY-5Y cells assessed as calcium flux by fluorescence analysis				Bioorg Med Chem Lett 22: 5089-92 (2012) Article DOI: 10.1016/j.bmcl.2012.05.108 BindingDB Entry DOI: 10.7270/Q24X58W1
					More data for this Ligand-Target Pair