BindingDB logo
myBDB logout

BDBM86420 CAS_92623-85-3::Milnacipran::NSC_0

SMILES: CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)c1ccccc1

InChI Key: InChIKey=GJJFMKBJSRMPLA-HIFRSBDPSA-N

Data: 10 KI  8 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 86420   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM86420
PNG
(CAS_92623-85-3 | Milnacipran | NSC_0)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)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/t13-,15+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents


Similars

PubMed
8.44n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




Biol Psychiatry 55: 320-2 (2004)

More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM86420
PNG
(CAS_92623-85-3 | Milnacipran | NSC_0)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)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/t13-,15+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents


Similars

PubMed
22n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting method


Bioorg Med Chem 25: 293-304 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM86420
PNG
(CAS_92623-85-3 | Milnacipran | NSC_0)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)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/t13-,15+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents


Similars

PubMed
22n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




Biol Psychiatry 55: 320-2 (2004)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM86420
PNG
(CAS_92623-85-3 | Milnacipran | NSC_0)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)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/t13-,15+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents


Similars

PubMed
68n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




Biol Psychiatry 55: 320-2 (2004)

More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM86420
PNG
(CAS_92623-85-3 | Milnacipran | NSC_0)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)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/t13-,15+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents


Similars

PubMed
123n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Neuropharmacology 45: 935-44 (2003)

More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM86420
PNG
(CAS_92623-85-3 | Milnacipran | NSC_0)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)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/t13-,15+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents


Similars

PubMed
151n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




Biol Psychiatry 55: 320-2 (2004)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM86420
PNG
(CAS_92623-85-3 | Milnacipran | NSC_0)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)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/t13-,15+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents


Similars

PubMed
200n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Neuropharmacology 45: 935-44 (2003)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM86420
PNG
(CAS_92623-85-3 | Milnacipran | NSC_0)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)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/t13-,15+/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents


Similars

PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Neuropharmacology 45: 935-44 (2003)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM86420
PNG
(CAS_92623-85-3 | Milnacipran | NSC_0)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)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/t13-,15+/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents


Similars

PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




Biol Psychiatry 55: 320-2 (2004)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM86420
PNG
(CAS_92623-85-3 | Milnacipran | NSC_0)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)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/t13-,15+/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents


Similars

PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




Biol Psychiatry 55: 320-2 (2004)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM86420
PNG
(CAS_92623-85-3 | Milnacipran | NSC_0)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)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/t13-,15+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET


Bioorg Med Chem Lett 18: 3328-32 (2008)

More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM86420
PNG
(CAS_92623-85-3 | Milnacipran | NSC_0)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)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/t13-,15+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SERT


Bioorg Med Chem Lett 18: 3328-32 (2008)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM86420
PNG
(CAS_92623-85-3 | Milnacipran | NSC_0)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)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/t13-,15+/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DAT


Bioorg Med Chem Lett 18: 3328-32 (2008)

More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM86420
PNG
(CAS_92623-85-3 | Milnacipran | NSC_0)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)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/t13-,15+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM86420
PNG
(CAS_92623-85-3 | Milnacipran | NSC_0)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)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/t13-,15+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM86420
PNG
(CAS_92623-85-3 | Milnacipran | NSC_0)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)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/t13-,15+/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM86420
PNG
(CAS_92623-85-3 | Milnacipran | NSC_0)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)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/t13-,15+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 64n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM86420
PNG
(CAS_92623-85-3 | Milnacipran | NSC_0)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)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/t13-,15+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against serotonin transporter


J Med Chem 48: 6523-43 (2005)

More data for this
Ligand-Target Pair