BDBM50239791 (1S,2R)-N-allyl-2-(aminomethyl)-N-ethyl-1-(thiophen-3-yl)cyclopropanecarboxamide::CHEMBL257602
SMILES: CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1
InChI Key: InChIKey=NYOJDMQJBPXCHG-GXTWGEPZSA-N
Data: 6 IC50
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 noradrenaline transporter (Homo sapiens (Human)) | BDBM50239791 ((1S,2R)-N-allyl-2-(aminomethyl)-N-ethyl-1-(thiophe...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc. Curated by ChEMBL | Assay Description Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells | Bioorg Med Chem Lett 18: 3230-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.045 BindingDB Entry DOI: 10.7270/Q2D21ZG8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50239791 ((1S,2R)-N-allyl-2-(aminomethyl)-N-ethyl-1-(thiophe...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc. Curated by ChEMBL | Assay Description Inhibition of dopamine uptake at human DAT expressed in HEK293 cells | Bioorg Med Chem Lett 18: 3230-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.045 BindingDB Entry DOI: 10.7270/Q2D21ZG8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transporter (Rattus norvegicus (rat)) | BDBM50239791 ((1S,2R)-N-allyl-2-(aminomethyl)-N-ethyl-1-(thiophe...) | Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc. Curated by ChEMBL | Assay Description Displacement of Levo[ring-2,5,6-3H]norepinephrine from rat synaptosomal NET expressed in HEK293 cells by microplate scintillation counter | J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50239791 ((1S,2R)-N-allyl-2-(aminomethyl)-N-ethyl-1-(thiophe...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc. Curated by ChEMBL | Assay Description Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from rat synaptosomal SERT expressed in HEK293 cells by microplate scintillation counter | J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Rattus norvegicus (rat)) | BDBM50239791 ((1S,2R)-N-allyl-2-(aminomethyl)-N-ethyl-1-(thiophe...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc. Curated by ChEMBL | Assay Description Displacement of 3,4-[ring-2,5,6-3H]dihydroxyphenylethylamine from rat synaptosomal DAT expressed in HEK293 cells by microplate scintillation counter | J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50239791 ((1S,2R)-N-allyl-2-(aminomethyl)-N-ethyl-1-(thiophe...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc. Curated by ChEMBL | Assay Description Inhibition of serotonin uptake at human SERT expressed in HEK293 cells | Bioorg Med Chem Lett 18: 3230-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.045 BindingDB Entry DOI: 10.7270/Q2D21ZG8 | |||||||||||
More data for this Ligand-Target Pair |