BDBM50145012 1-Cyclohexyl-4-[3-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine::CHEMBL73854

SMILES: COc1cccc2[C@@H](CCCN3CCN(CC3)C3CCCCC3)CCCc12

InChI Key: InChIKey=PHRCDWVPTULQMT-HXUWFJFHSA-N

Data: 3 KI

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 3 hits for monomerid = 50145012   

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))	BDBM50145012 (1-Cyclohexyl-4-[3-((R)-5-methoxy-1,2,3,4-tetrahydr...) Show SMILES COc1cccc2[C@@H](CCCN3CCN(CC3)C3CCCCC3)CCCc12 Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3/t20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Bari Aldo Moro Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in Dunkin guinea pig brain membrane without cerebellum				J Med Chem 54: 1022-32 (2011) Article DOI: 10.1021/jm1013133 BindingDB Entry DOI: 10.7270/Q20V8D3K
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50145012 (1-Cyclohexyl-4-[3-((R)-5-methoxy-1,2,3,4-tetrahydr...) Show SMILES COc1cccc2[C@@H](CCCN3CCN(CC3)C3CCCCC3)CCCc12 Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	5.54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Bari Curated by ChEMBL					Assay Description In vitro binding afinity at opioid sigma-1 receptorin guinea pig brain membranes by (+)-[3H]-pentazocine displacement.				J Med Chem 47: 2308-17 (2004) Article DOI: 10.1021/jm031026e BindingDB Entry DOI: 10.7270/Q2DN44HS
					More data for this Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor (Rattus norvegicus-RAT)	BDBM50145012 (1-Cyclohexyl-4-[3-((R)-5-methoxy-1,2,3,4-tetrahydr...) Show SMILES COc1cccc2[C@@H](CCCN3CCN(CC3)C3CCCCC3)CCCc12 Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3/t20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	>700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Bari Curated by ChEMBL					Assay Description In vitro binding affinity at serotonin 5-hydroxytryptamine 3 receptor in rat cortex by [3H]-granisetron displacement.				J Med Chem 47: 2308-17 (2004) Article DOI: 10.1021/jm031026e BindingDB Entry DOI: 10.7270/Q2DN44HS
					More data for this Ligand-Target Pair