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BDBM50301004 (+/-)-Erythro--1-(5-chloro-1H-indol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol::CHEMBL567467

SMILES: CNC[C@H](O)[C@H](c1ccccc1)n1ccc2cc(Cl)ccc12

InChI Key: InChIKey=IPBRKYZIBYMQNY-ROUUACIJSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50301004   
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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50301004
PNG
((+/-)-Erythro--1-(5-chloro-1H-indol-1-yl)-3-(methy...)
Show SMILES CNC[C@H](O)[C@H](c1ccccc1)n1ccc2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C18H19ClN2O/c1-20-12-17(22)18(13-5-3-2-4-6-13)21-10-9-14-11-15(19)7-8-16(14)21/h2-11,17-18,20,22H,12H2,1H3/t17-,18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of seratonin uptake at human SERT expressed in JAR cells


Bioorg Med Chem Lett 19: 5029-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.053
BindingDB Entry DOI: 10.7270/Q2CC10SH
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50301004
PNG
((+/-)-Erythro--1-(5-chloro-1H-indol-1-yl)-3-(methy...)
Show SMILES CNC[C@H](O)[C@H](c1ccccc1)n1ccc2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C18H19ClN2O/c1-20-12-17(22)18(13-5-3-2-4-6-13)21-10-9-14-11-15(19)7-8-16(14)21/h2-11,17-18,20,22H,12H2,1H3/t17-,18-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 49n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine reuptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 5029-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.053
BindingDB Entry DOI: 10.7270/Q2CC10SH
More data for this
Ligand-Target Pair