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BDBM50310644 (S)-2,3-dichloro-N-cyclopentyl-N-(pyrrolidin-3-yl)benzamide::CHEMBL1080968

SMILES: Clc1cccc(C(=O)N(C2CCCC2)[C@H]2CCNC2)c1Cl

InChI Key: InChIKey=MPGDFMOXIHFZSL-LBPRGKRZSA-N

Data: 3 KI  1 IC50

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 4 hits for monomerid = 50310644   
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))
BDBM50310644
PNG
((S)-2,3-dichloro-N-cyclopentyl-N-(pyrrolidin-3-yl)...)
Show SMILES Clc1cccc(C(=O)N(C2CCCC2)[C@H]2CCNC2)c1Cl |r|
Show InChI InChI=1S/C16H20Cl2N2O/c17-14-7-3-6-13(15(14)18)16(21)20(11-4-1-2-5-11)12-8-9-19-10-12/h3,6-7,11-12,19H,1-2,4-5,8-10H2/t12-/m0/s1
PDB

KEGG

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
6n/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))
BDBM50310644
PNG
((S)-2,3-dichloro-N-cyclopentyl-N-(pyrrolidin-3-yl)...)
Show SMILES Clc1cccc(C(=O)N(C2CCCC2)[C@H]2CCNC2)c1Cl |r|
Show InChI InChI=1S/C16H20Cl2N2O/c17-14-7-3-6-13(15(14)18)16(21)20(11-4-1-2-5-11)12-8-9-19-10-12/h3,6-7,11-12,19H,1-2,4-5,8-10H2/t12-/m0/s1
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KEGG

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PC sid
UniChem

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Article
PubMed
11n/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
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50310644
PNG
((S)-2,3-dichloro-N-cyclopentyl-N-(pyrrolidin-3-yl)...)
Show SMILES Clc1cccc(C(=O)N(C2CCCC2)[C@H]2CCNC2)c1Cl |r|
Show InChI InChI=1S/C16H20Cl2N2O/c17-14-7-3-6-13(15(14)18)16(21)20(11-4-1-2-5-11)12-8-9-19-10-12/h3,6-7,11-12,19H,1-2,4-5,8-10H2/t12-/m0/s1
NCI pathway
Reactome pathway
KEGG

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Article
PubMed
983n/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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50310644
PNG
((S)-2,3-dichloro-N-cyclopentyl-N-(pyrrolidin-3-yl)...)
Show SMILES Clc1cccc(C(=O)N(C2CCCC2)[C@H]2CCNC2)c1Cl |r|
Show InChI InChI=1S/C16H20Cl2N2O/c17-14-7-3-6-13(15(14)18)16(21)20(11-4-1-2-5-11)12-8-9-19-10-12/h3,6-7,11-12,19H,1-2,4-5,8-10H2/t12-/m0/s1
PDB
MMDB

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PubMed
n/an/a 1.03E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


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