BDBM50081366 CHEMBL540331::[1-(4-Methoxy-3-phenethyloxy-benzyl)-4-methyl-pentyl]-propyl-amine; hydrochloride

SMILES: CCCNC(CCC(C)C)Cc1ccc(OC)c(OCCc2ccccc2)c1

InChI Key: InChIKey=FIQMWOKYPMJGTC-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50081366   

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))	BDBM50081366 (CHEMBL540331 | [1-(4-Methoxy-3-phenethyloxy-benzyl...) Show SMILES CCCNC(CCC(C)C)Cc1ccc(OC)c(OCCc2ccccc2)c1 Show InChI InChI=1S/C25H37NO2/c1-5-16-26-23(13-11-20(2)3)18-22-12-14-24(27-4)25(19-22)28-17-15-21-9-7-6-8-10-21/h6-10,12,14,19-20,23,26H,5,11,13,15-18H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity at Sigma opioid receptor type 2 on guinea pig brain membranes by [3H]DTG displacement in the presence of [3H]pentazocine.				J Med Chem 42: 3965-70 (1999) BindingDB Entry DOI: 10.7270/Q2PR7WQ7
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50081366 (CHEMBL540331 | [1-(4-Methoxy-3-phenethyloxy-benzyl...) Show SMILES CCCNC(CCC(C)C)Cc1ccc(OC)c(OCCc2ccccc2)c1 Show InChI InChI=1S/C25H37NO2/c1-5-16-26-23(13-11-20(2)3)18-22-12-14-24(27-4)25(19-22)28-17-15-21-9-7-6-8-10-21/h6-10,12,14,19-20,23,26H,5,11,13,15-18H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description TIn vitro binding affinity at Sigma opioid receptor type 2 on guinea pig brain membranes by [3H]DTG displacement in the presence of [3H]pentazocine.				J Med Chem 42: 3965-70 (1999) BindingDB Entry DOI: 10.7270/Q2PR7WQ7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50081366 (CHEMBL540331 | [1-(4-Methoxy-3-phenethyloxy-benzyl...) Show SMILES CCCNC(CCC(C)C)Cc1ccc(OC)c(OCCc2ccccc2)c1 Show InChI InChI=1S/C25H37NO2/c1-5-16-26-23(13-11-20(2)3)18-22-12-14-24(27-4)25(19-22)28-17-15-21-9-7-6-8-10-21/h6-10,12,14,19-20,23,26H,5,11,13,15-18H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity at Dopamine receptor D2 of rat striatal membranes by [3H]-raclopride displacement.				J Med Chem 42: 3965-70 (1999) BindingDB Entry DOI: 10.7270/Q2PR7WQ7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50081366 (CHEMBL540331 | [1-(4-Methoxy-3-phenethyloxy-benzyl...) Show SMILES CCCNC(CCC(C)C)Cc1ccc(OC)c(OCCc2ccccc2)c1 Show InChI InChI=1S/C25H37NO2/c1-5-16-26-23(13-11-20(2)3)18-22-12-14-24(27-4)25(19-22)28-17-15-21-9-7-6-8-10-21/h6-10,12,14,19-20,23,26H,5,11,13,15-18H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity at Dopamine receptor D2 of rat striatal membranes by [3H]-raclopride displacement.				J Med Chem 42: 3965-70 (1999) BindingDB Entry DOI: 10.7270/Q2PR7WQ7
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50081366 (CHEMBL540331 | [1-(4-Methoxy-3-phenethyloxy-benzyl...) Show SMILES CCCNC(CCC(C)C)Cc1ccc(OC)c(OCCc2ccccc2)c1 Show InChI InChI=1S/C25H37NO2/c1-5-16-26-23(13-11-20(2)3)18-22-12-14-24(27-4)25(19-22)28-17-15-21-9-7-6-8-10-21/h6-10,12,14,19-20,23,26H,5,11,13,15-18H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity at Sigma opioid receptor type 2 on guinea pig brain membranes by [3H]DTG displacement in the presence of [3H]pentazocine.				J Med Chem 42: 3965-70 (1999) BindingDB Entry DOI: 10.7270/Q2PR7WQ7
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50081366 (CHEMBL540331 | [1-(4-Methoxy-3-phenethyloxy-benzyl...) Show SMILES CCCNC(CCC(C)C)Cc1ccc(OC)c(OCCc2ccccc2)c1 Show InChI InChI=1S/C25H37NO2/c1-5-16-26-23(13-11-20(2)3)18-22-12-14-24(27-4)25(19-22)28-17-15-21-9-7-6-8-10-21/h6-10,12,14,19-20,23,26H,5,11,13,15-18H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity at Sigma opioid receptors on guinea pig brain membranes by [3H]3-PPP displacement.				J Med Chem 42: 3965-70 (1999) BindingDB Entry DOI: 10.7270/Q2PR7WQ7
					More data for this Ligand-Target Pair