BDBM50183550 (R)-(+)-4-(2-benzhydryloxyethyl)-1-(3-phenylpropan-3-ol)-piperidine oxalate::CHEMBL204060
SMILES: O[C@H](CCN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
InChI Key: InChIKey=NTHSSHJRLMCIKI-MUUNZHRXSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 3 hits for monomerid = 50183550 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)) | BDBM50183550
((R)-(+)-4-(2-benzhydryloxyethyl)-1-(3-phenylpropan...)Show SMILES O[C@H](CCN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C29H35NO2/c31-28(25-10-4-1-5-11-25)18-22-30-20-16-24(17-21-30)19-23-32-29(26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,24,28-29,31H,16-23H2/t28-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI-55 from DAT |
J Med Chem 49: 1766-72 (2006)
Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50183550
((R)-(+)-4-(2-benzhydryloxyethyl)-1-(3-phenylpropan...)Show SMILES O[C@H](CCN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C29H35NO2/c31-28(25-10-4-1-5-11-25)18-22-30-20-16-24(17-21-30)19-23-32-29(26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,24,28-29,31H,16-23H2/t28-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI-55 from SERT |
J Med Chem 49: 1766-72 (2006)
Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50183550
((R)-(+)-4-(2-benzhydryloxyethyl)-1-(3-phenylpropan...)Show SMILES O[C@H](CCN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C29H35NO2/c31-28(25-10-4-1-5-11-25)18-22-30-20-16-24(17-21-30)19-23-32-29(26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,24,28-29,31H,16-23H2/t28-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Displacement of [3H]nisoxetine from NET |
J Med Chem 49: 1766-72 (2006)
Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F |
More data for this Ligand-Target Pair | |