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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent noradrenaline transporter' and Ligand = 'BDBM50095620'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50095620
PNG
(CHEMBL146042 | [3-(3,4-Dichloro-phenyl)-indan-1-yl...)
Show SMILES CCCN[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H19Cl2N/c1-2-9-21-18-11-15(13-5-3-4-6-14(13)18)12-7-8-16(19)17(20)10-12/h3-8,10,15,18,21H,2,9,11H2,1H3/t15-,18+/m0/s1
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PC cid
PC sid
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Similars

PubMed
55n/an/an/an/an/an/an/an/a



Pharm-Eco Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against norepinephrine cloned human transporter using 40-80 pM [125I]RTI


J Med Chem 43: 4981-92 (2001)


BindingDB Entry DOI: 10.7270/Q2SX6DXD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50095620
PNG
(CHEMBL146042 | [3-(3,4-Dichloro-phenyl)-indan-1-yl...)
Show SMILES CCCN[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H19Cl2N/c1-2-9-21-18-11-15(13-5-3-4-6-14(13)18)12-7-8-16(19)17(20)10-12/h3-8,10,15,18,21H,2,9,11H2,1H3/t15-,18+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
130n/an/an/an/an/an/an/an/a



Pharm-Eco Laboratories

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]-NE (20 nM) by norepinephrine transporter


J Med Chem 43: 4981-92 (2001)


BindingDB Entry DOI: 10.7270/Q2SX6DXD
More data for this
Ligand-Target Pair