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BDBM50474053 CHEMBL415886

SMILES: Fc1ccc(cc1)C(OCCN1CCN(CC1)C(=O)\C=C\c1ccc(Cl)cc1)c1ccc(F)cc1

InChI Key: InChIKey=ZBPXHTCVLBTEET-LZWSPWQCSA-N

Data: 2 Kd

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50474053   
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))
BDBM50474053
PNG
(CHEMBL415886)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CC1)C(=O)\C=C\c1ccc(Cl)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C28H27ClF2N2O2/c29-24-8-1-21(2-9-24)3-14-27(34)33-17-15-32(16-18-33)19-20-35-28(22-4-10-25(30)11-5-22)23-6-12-26(31)13-7-23/h1-14,28H,15-20H2/b14-3+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 72n/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
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50474053
PNG
(CHEMBL415886)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CC1)C(=O)\C=C\c1ccc(Cl)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C28H27ClF2N2O2/c29-24-8-1-21(2-9-24)3-14-27(34)33-17-15-32(16-18-33)19-20-35-28(22-4-10-25(30)11-5-22)23-6-12-26(31)13-7-23/h1-14,28H,15-20H2/b14-3+
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 427n/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