BDBM50490618 Midalcipran::Milnacipran

SMILES CCN(CC)C(=O)C1(CC1CN)c1ccccc1

InChI Key InChIKey=GJJFMKBJSRMPLA-UHFFFAOYSA-N

Data  1 KI  3 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50490618   

TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Theravance, Inc.

Curated by ChEMBL
LigandPNGBDBM50490618(Midalcipran | Milnacipran)
Show SMILES CCN(CC)C(=O)C1(CC1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3
Affinity DataKi: <3.16E+4nMAssay Description:Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membraneMore data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Theravance, Inc.

Curated by ChEMBL
LigandPNGBDBM50490618(Midalcipran | Milnacipran)
Show SMILES CCN(CC)C(=O)C1(CC1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3
Affinity DataIC50: 3.16E+4nMAssay Description:Inhibition of human recombinant CYP2D6 by luminescence assayMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Theravance, Inc.

Curated by ChEMBL
LigandPNGBDBM50490618(Midalcipran | Milnacipran)
Show SMILES CCN(CC)C(=O)C1(CC1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3
Affinity DataIC50: 50nMAssay Description:Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptakeMore data for this Ligand-Target Pair
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Theravance, Inc.

Curated by ChEMBL
LigandPNGBDBM50490618(Midalcipran | Milnacipran)
Show SMILES CCN(CC)C(=O)C1(CC1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3
Affinity DataIC50: 0.794nMAssay Description:Inhibition of human recombinant NET expressed in HEK293 cells assessed as inhibition of [3H]NE reuptakeMore data for this Ligand-Target Pair