BDBM50034168 CHEMBL3359231

SMILES: C(COc1nc(nc2CCCc12)-c1ccccc1)CN1CCCCC1

InChI Key: InChIKey=YKWKBXRACYQMES-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50034168   

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
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50034168 (CHEMBL3359231) Show SMILES C(COc1nc(nc2CCCc12)-c1ccccc1)CN1CCCCC1 Show InChI InChI=1S/C21H27N3O/c1-3-9-17(10-4-1)20-22-19-12-7-11-18(19)21(23-20)25-16-8-15-24-13-5-2-6-14-24/h1,3-4,9-10H,2,5-8,11-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Renmin Hospital of Wuhan University Curated by ChEMBL					Assay Description Tested for neuronal nicotinic acetylcholine receptor (nAChR) binding in a whole rat brain preparation using [3H]-cystine as the radioligand.				Bioorg Med Chem Lett 26: 2051-6 (2016) BindingDB Entry DOI: 10.7270/Q25Q4XZN
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50034168 (CHEMBL3359231) Show SMILES C(COc1nc(nc2CCCc12)-c1ccccc1)CN1CCCCC1 Show InChI InChI=1S/C21H27N3O/c1-3-9-17(10-4-1)20-22-19-12-7-11-18(19)21(23-20)25-16-8-15-24-13-5-2-6-14-24/h1,3-4,9-10H,2,5-8,11-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...				J Med Chem 57: 10404-23 (2014) Article DOI: 10.1021/jm501207r BindingDB Entry DOI: 10.7270/Q2XD138B
					More data for this Ligand-Target Pair