BDBM50206754 CHEMBL3969352
SMILES: CCOc1ccc(Br)c(CC2CCN(CCc3cc4OCCOc4cc3Cl)CC2)c1
InChI Key: InChIKey=VQZYCUDEMAKCAT-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 serotonin transporter (Homo sapiens (Human)) | BDBM50206754 (CHEMBL3969352) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Dainippon Pharma Co., Ltd. Curated by ChEMBL | Assay Description Inhibition of human SERT expressed in CHO cell membranes assessed as reduction in [3H]serotonin uptake preincubated for 10 mins followed by [3H]serot... | Bioorg Med Chem 25: 293-304 (2017) Article DOI: 10.1016/j.bmc.2016.10.034 BindingDB Entry DOI: 10.7270/Q2571F0B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50206754 (CHEMBL3969352) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Dainippon Pharma Co., Ltd. Curated by ChEMBL | Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis | Bioorg Med Chem 25: 293-304 (2017) Article DOI: 10.1016/j.bmc.2016.10.034 BindingDB Entry DOI: 10.7270/Q2571F0B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50206754 (CHEMBL3969352) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Dainippon Pharma Co., Ltd. Curated by ChEMBL | Assay Description Inhibition of CYP2D6 in human liver microsomes assessed as reduction in formation of 1'-hydroxy-bufuralol from bufuralol preincubated with enzyme fol... | Bioorg Med Chem 25: 293-304 (2017) Article DOI: 10.1016/j.bmc.2016.10.034 BindingDB Entry DOI: 10.7270/Q2571F0B | |||||||||||
More data for this Ligand-Target Pair |