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Compile Data Set for Download or QSAR

Found 2 hits of kd for monomerid = 50474056   
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 dopamine transporter


(Homo sapiens (Human))
BDBM50474056
PNG
(CHEMBL41797)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H29ClF2N2O/c29-25-9-3-22(4-10-25)2-1-15-32-16-18-33(19-17-32)20-21-34-28(23-5-11-26(30)12-6-23)24-7-13-27(31)14-8-24/h1-14,28H,15-21H2/b2-1+
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 22n/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Inhibition of radioligand [125I]RTI-55 binding to human Dopamine transporter in clonal cells


J Med Chem 45: 1577-84 (2002)


Article DOI: 10.1021/jm011007+
BindingDB Entry DOI: 10.7270/Q29026JT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50474056
PNG
(CHEMBL41797)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H29ClF2N2O/c29-25-9-3-22(4-10-25)2-1-15-32-16-18-33(19-17-32)20-21-34-28(23-5-11-26(30)12-6-23)24-7-13-27(31)14-8-24/h1-14,28H,15-21H2/b2-1+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 813n/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Inhibition of [125I]RTI-55 binding to human SERT in clonal cells


J Med Chem 45: 1577-84 (2002)


Article DOI: 10.1021/jm011007+
BindingDB Entry DOI: 10.7270/Q29026JT
More data for this
Ligand-Target Pair