BDBM50425041 CHEMBL2312565

SMILES: C[C@H](CCOc1nccn1C)N(C)C

InChI Key: InChIKey=VPQCJEWNIYWNLE-SECBINFHSA-N

Data: 2 KI  2 EC50

PDB links: 1 PDB ID matches this monomer.

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 = 50425041   

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)	BDBM50425041 (CHEMBL2312565) Show SMILES C[C@H](CCOc1nccn1C)N(C)C |r| Show InChI InChI=1S/C10H19N3O/c1-9(12(2)3)5-8-14-10-11-6-7-13(10)4/h6-7,9H,5,8H2,1-4H3/t9-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	45	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				3D Structure (crystal)
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50425041 (CHEMBL2312565) Show SMILES C[C@H](CCOc1nccn1C)N(C)C |r| Show InChI InChI=1S/C10H19N3O/c1-9(12(2)3)5-8-14-10-11-6-7-13(10)4/h6-7,9H,5,8H2,1-4H3/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB 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))	BDBM50425041 (CHEMBL2312565) Show SMILES C[C@H](CCOc1nccn1C)N(C)C |r| Show InChI InChI=1S/C10H19N3O/c1-9(12(2)3)5-8-14-10-11-6-7-13(10)4/h6-7,9H,5,8H2,1-4H3/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.30E+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))	BDBM50425041 (CHEMBL2312565) Show SMILES C[C@H](CCOc1nccn1C)N(C)C |r| Show InChI InChI=1S/C10H19N3O/c1-9(12(2)3)5-8-14-10-11-6-7-13(10)4/h6-7,9H,5,8H2,1-4H3/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	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