BDBM50040196 1-(1-Benzo[b]thiophen-2-yl-cycloheptyl)-azepane::CHEMBL18190

SMILES: C1CCCN(CC1)C1(CCCCCC1)c1cc2ccccc2s1

InChI Key: InChIKey=SHYAOKYYAHMSCY-UHFFFAOYSA-N

Data: 1 KI  2 IC50

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 3 hits for monomerid = 50040196   

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 (Homo sapiens (Human))	BDBM50040196 (1-(1-Benzo[b]thiophen-2-yl-cycloheptyl)-azepane | ...) Show SMILES C1CCCN(CC1)C1(CCCCCC1)c1cc2ccccc2s1 Show InChI InChI=1S/C21H29NS/c1-2-8-14-21(13-7-1,22-15-9-3-4-10-16-22)20-17-18-11-5-6-12-19(18)23-20/h5-6,11-12,17H,1-4,7-10,13-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.71E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [3H](+)-pentazocine binding to sigma receptor of guinea pig brain homogenates				J Med Chem 36: 1188-93 (1993) BindingDB Entry DOI: 10.7270/Q23F4Q98
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50040196 (1-(1-Benzo[b]thiophen-2-yl-cycloheptyl)-azepane | ...) Show SMILES C1CCCN(CC1)C1(CCCCCC1)c1cc2ccccc2s1 Show InChI InChI=1S/C21H29NS/c1-2-8-14-21(13-7-1,22-15-9-3-4-10-16-22)20-17-18-11-5-6-12-19(18)23-20/h5-6,11-12,17H,1-4,7-10,13-16H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]BTCP (1-[1-(2-benxo[b]thienyl)cyclohexyl]piperidine) from rat forebrain dopamine transporter				J Med Chem 36: 1188-93 (1993) BindingDB Entry DOI: 10.7270/Q23F4Q98
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50040196 (1-(1-Benzo[b]thiophen-2-yl-cycloheptyl)-azepane | ...) Show SMILES C1CCCN(CC1)C1(CCCCCC1)c1cc2ccccc2s1 Show InChI InChI=1S/C21H29NS/c1-2-8-14-21(13-7-1,22-15-9-3-4-10-16-22)20-17-18-11-5-6-12-19(18)23-20/h5-6,11-12,17H,1-4,7-10,13-16H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	386	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [3H]cocaine binding to rat forebrain dopamine receptor				J Med Chem 36: 1188-93 (1993) BindingDB Entry DOI: 10.7270/Q23F4Q98
					More data for this Ligand-Target Pair