BDBM50170660 CHEMBL190883::CHEMBL521582::N,N-dipropyl-2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethylamine::N-(4-methoxy-3-phenethoxyphenethyl)-N-propylpropan-1-amine::NE-100::[2-(4-Methoxy-3-phenethyloxy-phenyl)-ethyl]-dipropyl-amine
SMILES: CCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1
InChI Key: InChIKey=YBLIQJGXRLZBCZ-UHFFFAOYSA-N
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)) | BDBM50170660 (CHEMBL190883 | CHEMBL521582 | N,N-dipropyl-2-[4-me...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Bari Curated by ChEMBL | Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane without cerebellum | J Med Chem 51: 7523-31 (2009) Article DOI: 10.1021/jm800965b BindingDB Entry DOI: 10.7270/Q21837D3 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human)) | BDBM50170660 (CHEMBL190883 | CHEMBL521582 | N,N-dipropyl-2-[4-me...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck Curated by ChEMBL | Assay Description Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand | J Med Chem 48: 4754-64 (2005) Article DOI: 10.1021/jm049073+ BindingDB Entry DOI: 10.7270/Q2639QHB | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig)) | BDBM50170660 (CHEMBL190883 | CHEMBL521582 | N,N-dipropyl-2-[4-me...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 1.03 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Bari Curated by ChEMBL | Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes | J Med Chem 48: 8237-44 (2005) Article DOI: 10.1021/jm050654o BindingDB Entry DOI: 10.7270/Q2MP542J | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Sigma non-opioid intracellular receptor 1 (RAT) | BDBM50170660 (CHEMBL190883 | CHEMBL521582 | N,N-dipropyl-2-[4-me...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 1.03 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney Curated by ChEMBL | Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat brain homogenate | Bioorg Med Chem Lett 21: 3622-6 (2011) Article DOI: 10.1016/j.bmcl.2011.04.098 BindingDB Entry DOI: 10.7270/Q2ZS2WTH | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig)) | BDBM50170660 (CHEMBL190883 | CHEMBL521582 | N,N-dipropyl-2-[4-me...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 2.38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL | Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane | Bioorg Med Chem Lett 18: 5238-41 (2008) Article DOI: 10.1016/j.bmcl.2008.08.065 BindingDB Entry DOI: 10.7270/Q2DB82SZ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase (Cavia porcellus) | BDBM50170660 (CHEMBL190883 | CHEMBL521582 | N,N-dipropyl-2-[4-me...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 14.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Bari Curated by ChEMBL | Assay Description Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes | J Med Chem 48: 8237-44 (2005) Article DOI: 10.1021/jm050654o BindingDB Entry DOI: 10.7270/Q2MP542J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase (Cavia porcellus) | BDBM50170660 (CHEMBL190883 | CHEMBL521582 | N,N-dipropyl-2-[4-me...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Bari Curated by ChEMBL | Assay Description Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane | J Med Chem 51: 7523-31 (2009) Article DOI: 10.1021/jm800965b BindingDB Entry DOI: 10.7270/Q21837D3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Anti-estrogen binding site (AEBS) (Homo sapiens (Human)) | BDBM50170660 (CHEMBL190883 | CHEMBL521582 | N,N-dipropyl-2-[4-me...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck Curated by ChEMBL | Assay Description Affinity for human EMP expressed in ERG2 deficient strain of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand | J Med Chem 48: 4754-64 (2005) Article DOI: 10.1021/jm049073+ BindingDB Entry DOI: 10.7270/Q2639QHB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Rattus norvegicus (rat)) | BDBM50170660 (CHEMBL190883 | CHEMBL521582 | N,N-dipropyl-2-[4-me...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 3.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL | Assay Description Displacement of [3H]WIN-35428 from DAT in rat striatum membrane | Bioorg Med Chem Lett 18: 5238-41 (2008) Article DOI: 10.1016/j.bmcl.2008.08.065 BindingDB Entry DOI: 10.7270/Q2DB82SZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50170660 (CHEMBL190883 | CHEMBL521582 | N,N-dipropyl-2-[4-me...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL | Assay Description Displacement of [3H]citalopram from SERT in rat brain stem membrane | Bioorg Med Chem Lett 18: 5238-41 (2008) Article DOI: 10.1016/j.bmcl.2008.08.065 BindingDB Entry DOI: 10.7270/Q2DB82SZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (RAT) | BDBM50170660 (CHEMBL190883 | CHEMBL521582 | N,N-dipropyl-2-[4-me...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | n/a | 1.07E+4 | n/a | n/a | n/a | n/a |
Universit£ di Bari Curated by ChEMBL | Assay Description Antiproliferative activity mediated by sigma 1 receptor in rat C6 glioma cells by MTT assay | J Med Chem 48: 8237-44 (2005) Article DOI: 10.1021/jm050654o BindingDB Entry DOI: 10.7270/Q2MP542J | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human)) | BDBM50170660 (CHEMBL190883 | CHEMBL521582 | N,N-dipropyl-2-[4-me...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB PubMed | n/a | n/a | 1.30 | 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 | 3D Structure (crystal) | ||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50170660 (CHEMBL190883 | CHEMBL521582 | N,N-dipropyl-2-[4-me...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents 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)) | BDBM50170660 (CHEMBL190883 | CHEMBL521582 | N,N-dipropyl-2-[4-me...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB PubMed | n/a | n/a | 85 | 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 | 3D Structure (crystal) | ||||||||||||
D(1A) dopamine receptor (RAT) | BDBM50170660 (CHEMBL190883 | CHEMBL521582 | N,N-dipropyl-2-[4-me...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article 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 Inhibitory concentration against radioligand [3H]SCH-23390 binding to Dopamine receptor D1 in rat | J Med Chem 42: 1076-87 (1999) Article DOI: 10.1021/jm980212v BindingDB Entry DOI: 10.7270/Q29C6Z4V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glutamate receptor ionotropic, NMDA 1 (RAT) | BDBM50170660 (CHEMBL190883 | CHEMBL521582 | N,N-dipropyl-2-[4-me...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article 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 Inhibitory concentration against radioligand [3H]PCP binding to PCP site of N-methyl-D-aspartate glutamate receptor in rat | J Med Chem 42: 1076-87 (1999) Article DOI: 10.1021/jm980212v BindingDB Entry DOI: 10.7270/Q29C6Z4V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat)) | BDBM50170660 (CHEMBL190883 | CHEMBL521582 | N,N-dipropyl-2-[4-me...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 6.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Company, Ltd. Curated by ChEMBL | Assay Description Inhibitory concentration against radioligand [3H]hydroxy-2-(di-n-propylamino)-tetralin binding to 5-hydroxytryptamine 1A receptor in rat | J Med Chem 42: 1076-87 (1999) Article DOI: 10.1021/jm980212v BindingDB Entry DOI: 10.7270/Q29C6Z4V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50170660 (CHEMBL190883 | CHEMBL521582 | N,N-dipropyl-2-[4-me...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article 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 Inhibitory concentration against radioligand [3H](-)-sulpiride binding to Dopamine receptor D2 in rat | J Med Chem 42: 1076-87 (1999) Article DOI: 10.1021/jm980212v BindingDB Entry DOI: 10.7270/Q29C6Z4V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (RAT) | BDBM50170660 (CHEMBL190883 | CHEMBL521582 | N,N-dipropyl-2-[4-me...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Company, Ltd. Curated by ChEMBL | Assay Description Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane | J Med Chem 42: 1076-87 (1999) Article DOI: 10.1021/jm980212v BindingDB Entry DOI: 10.7270/Q29C6Z4V | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50170660 (CHEMBL190883 | CHEMBL521582 | N,N-dipropyl-2-[4-me...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney Curated by ChEMBL | Assay Description Displacement of [3H]N-methylspiperone from human D2 receptor expressed in HEK cells | Bioorg Med Chem Lett 21: 3622-6 (2011) Article DOI: 10.1016/j.bmcl.2011.04.098 BindingDB Entry DOI: 10.7270/Q2ZS2WTH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(1A) dopamine receptor (Homo sapiens (Human)) | BDBM50170660 (CHEMBL190883 | CHEMBL521582 | N,N-dipropyl-2-[4-me...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney Curated by ChEMBL | Assay Description Displacement of [3H]SCH233930 from human D1 receptor expressed in HEK cells | Bioorg Med Chem Lett 21: 3622-6 (2011) Article DOI: 10.1016/j.bmcl.2011.04.098 BindingDB Entry DOI: 10.7270/Q2ZS2WTH | |||||||||||
More data for this Ligand-Target Pair |