BDBM50114004 CHEMBL3603947

SMILES: [H][C@]1(CCCN1C)[C@@H](C)Oc1cccnc1

InChI Key: InChIKey=IPXAAUDJZYMFFH-PWSUYJOCSA-N

Data: 1 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 2 hits for monomerid = 50114004   

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))	BDBM50114004 (CHEMBL3603947) Show SMILES [H][C@]1(CCCN1C)[C@@H](C)Oc1cccnc1 |r| Show InChI InChI=1S/C12H18N2O/c1-10(12-6-4-8-14(12)2)15-11-5-3-7-13-9-11/h3,5,7,9-10,12H,4,6,8H2,1-2H3/t10-,12+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	388	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [125I]]-alpha-bungarotoxin from alpha7 nAChR in rat hippocampus membranes by liquid scintillation counting method				J Med Chem 58: 6665-77 (2015) BindingDB Entry DOI: 10.7270/Q2CF9RX4
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50114004 (CHEMBL3603947) Show SMILES [H][C@]1(CCCN1C)[C@@H](C)Oc1cccnc1 |r| Show InChI InChI=1S/C12H18N2O/c1-10(12-6-4-8-14(12)2)15-11-5-3-7-13-9-11/h3,5,7,9-10,12H,4,6,8H2,1-2H3/t10-,12+/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 Similars	PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Agonist activity at human alpha4beta2 nAChR expressed in rat GH4C1 cells assessed as induction of peak current amplitude at holding potential of -70 ...				J Med Chem 58: 6665-77 (2015) BindingDB Entry DOI: 10.7270/Q2CF9RX4
					More data for this Ligand-Target Pair