BDBM50202381 (RR/SS)-2-[1-(4-chlorophenyl)-3-methylbutyl]piperodine::(RS/SR)-2-[1-(4-chlorophenyl)-3-methylbutyl]piperidine::CHEMBL220247
SMILES: CC(C)CC(C1CCCCN1)c1ccc(Cl)cc1
InChI Key: InChIKey=UWHKVOABKKOHHU-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50202381 ((RR/SS)-2-[1-(4-chlorophenyl)-3-methylbutyl]pipero...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts College of Pharmacy and Health Sciences Curated by ChEMBL | Assay Description Displacement of [125I]RTI-55 from human DAT expressing HEK293 cells | J Med Chem 50: 219-32 (2007) Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50202381 ((RR/SS)-2-[1-(4-chlorophenyl)-3-methylbutyl]pipero...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts College of Pharmacy and Health Sciences Curated by ChEMBL | Assay Description Displacement of [125I]RTI-55 from human DAT expressing HEK293 cells | J Med Chem 50: 219-32 (2007) Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent noradrenaline transporter (Homo sapiens (Human)) | BDBM50202381 ((RR/SS)-2-[1-(4-chlorophenyl)-3-methylbutyl]pipero...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts College of Pharmacy and Health Sciences Curated by ChEMBL | Assay Description Displacement of [125I]RTI-55 from human NET expressing HEK293 cells | J Med Chem 50: 219-32 (2007) Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50202381 ((RR/SS)-2-[1-(4-chlorophenyl)-3-methylbutyl]pipero...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts College of Pharmacy and Health Sciences Curated by ChEMBL | Assay Description Displacement of [125I]RTI-55 from human SERT expressing HEK293 cells | J Med Chem 50: 219-32 (2007) Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent noradrenaline transporter (Homo sapiens (Human)) | BDBM50202381 ((RR/SS)-2-[1-(4-chlorophenyl)-3-methylbutyl]pipero...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts College of Pharmacy and Health Sciences Curated by ChEMBL | Assay Description Displacement of [125I]RTI-55 from human NET expressing HEK293 cells | J Med Chem 50: 219-32 (2007) Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50202381 ((RR/SS)-2-[1-(4-chlorophenyl)-3-methylbutyl]pipero...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts College of Pharmacy and Health Sciences Curated by ChEMBL | Assay Description Displacement of [125I]RTI-55 from human SERT expressing HEK293 cells | J Med Chem 50: 219-32 (2007) Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50202381 ((RR/SS)-2-[1-(4-chlorophenyl)-3-methylbutyl]pipero...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts College of Pharmacy and Health Sciences Curated by ChEMBL | Assay Description Inhibition of [3H]DA uptake at human DAT expressing HEK293 cells | J Med Chem 50: 219-32 (2007) Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent noradrenaline transporter (Homo sapiens (Human)) | BDBM50202381 ((RR/SS)-2-[1-(4-chlorophenyl)-3-methylbutyl]pipero...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts College of Pharmacy and Health Sciences Curated by ChEMBL | Assay Description Inhibition of [3H]NE uptake into human NET expressing HEK293 cells | J Med Chem 50: 219-32 (2007) Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50202381 ((RR/SS)-2-[1-(4-chlorophenyl)-3-methylbutyl]pipero...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts College of Pharmacy and Health Sciences Curated by ChEMBL | Assay Description Inhibition of [3H]DA uptake at human DAT expressing HEK293 cells | J Med Chem 50: 219-32 (2007) Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent noradrenaline transporter (Homo sapiens (Human)) | BDBM50202381 ((RR/SS)-2-[1-(4-chlorophenyl)-3-methylbutyl]pipero...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts College of Pharmacy and Health Sciences Curated by ChEMBL | Assay Description Inhibition of [3H]NE uptake into human NET expressing HEK293 cells | J Med Chem 50: 219-32 (2007) Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50202381 ((RR/SS)-2-[1-(4-chlorophenyl)-3-methylbutyl]pipero...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts College of Pharmacy and Health Sciences Curated by ChEMBL | Assay Description Inhibition of [3H]5-HT uptake into human SERT expressing HEK293 cells | J Med Chem 50: 219-32 (2007) Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50202381 ((RR/SS)-2-[1-(4-chlorophenyl)-3-methylbutyl]pipero...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts College of Pharmacy and Health Sciences Curated by ChEMBL | Assay Description Inhibition of [3H]5-HT uptake into human SERT expressing HEK293 cells | J Med Chem 50: 219-32 (2007) Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3 | |||||||||||
More data for this Ligand-Target Pair |