BDBM50425040 CHEMBL2312564

SMILES: C[C@H](CCOc1nc(C)cn1C)N(C)C

InChI Key: InChIKey=CTHZDJIEURVZQA-SNVBAGLBSA-N

Data: 2 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 4 hits for monomerid = 50425040   

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
Acetylcholine Binding protein (Lymnaea stagnalis)	BDBM50425040 (CHEMBL2312564) Show SMILES C[C@H](CCOc1nc(C)cn1C)N(C)C |r| Show InChI InChI=1S/C11H21N3O/c1-9-8-14(5)11(12-9)15-7-6-10(2)13(3)4/h8,10H,6-7H2,1-5H3/t10-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis AChBP linked to ion channel portion of 5-HT3A receptor expressed in HEK293 cells after 4 hrs b...				J Med Chem 56: 940-51 (2013) Article DOI: 10.1021/jm301409f BindingDB Entry DOI: 10.7270/Q2RJ4KST
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50425040 (CHEMBL2312564) Show SMILES C[C@H](CCOc1nc(C)cn1C)N(C)C |r| Show InChI InChI=1S/C11H21N3O/c1-9-8-14(5)11(12-9)15-7-6-10(2)13(3)4/h8,10H,6-7H2,1-5H3/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]MLA from rat nAChR alpha7 linked to ion channel portion of 5-HT3A receptor expressed in human tsA-201 cells after 2.5 hrs by scin...				J Med Chem 56: 940-51 (2013) Article DOI: 10.1021/jm301409f BindingDB Entry DOI: 10.7270/Q2RJ4KST
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50425040 (CHEMBL2312564) Show SMILES C[C@H](CCOc1nc(C)cn1C)N(C)C |r| Show InChI InChI=1S/C11H21N3O/c1-9-8-14(5)11(12-9)15-7-6-10(2)13(3)4/h8,10H,6-7H2,1-5H3/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at human 3:2 alpha4beta2 nAChR expressed in Xenopus laevis oocytes after 1 min by two electrode voltage clamp technique				J Med Chem 56: 940-51 (2013) Article DOI: 10.1021/jm301409f BindingDB Entry DOI: 10.7270/Q2RJ4KST
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50425040 (CHEMBL2312564) Show SMILES C[C@H](CCOc1nc(C)cn1C)N(C)C |r| Show InChI InChI=1S/C11H21N3O/c1-9-8-14(5)11(12-9)15-7-6-10(2)13(3)4/h8,10H,6-7H2,1-5H3/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Partial agonist activity at human 2:3 alpha4beta2 nAChR expressed in Xenopus laevis oocytes after 1 min by two electrode voltage clamp technique				J Med Chem 56: 940-51 (2013) Article DOI: 10.1021/jm301409f BindingDB Entry DOI: 10.7270/Q2RJ4KST
					More data for this Ligand-Target Pair