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BDBM50310662 (S)-2,4-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)benzamide::CHEMBL1079265

SMILES: CC(C)CN([C@H]1CCNC1)C(=O)c1ccc(Cl)cc1Cl

InChI Key: InChIKey=IDJLHSSQHKZAPT-LBPRGKRZSA-N

Data: 3 KI

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 3 hits for monomerid = 50310662   
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))
BDBM50310662
PNG
((S)-2,4-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)13-4-3-11(16)7-14(13)17/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50310662
PNG
((S)-2,4-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)13-4-3-11(16)7-14(13)17/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
37n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50310662
PNG
((S)-2,4-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)13-4-3-11(16)7-14(13)17/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
2.40E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V
More data for this
Ligand-Target Pair