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BDBM50195183 2,4-dichloro-N-((4-(3-(dimethylamino)pyrrolidine-1-carbonyl)-1-(propylsulfonyl)piperidin-4-yl)methyl)benzamide::CHEMBL221209

SMILES: CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)C(=O)N1CCC(C1)N(C)C

InChI Key: InChIKey=FHLOKXXBGIMGEG-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50195183   
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
Glycine transporter 2


(Homo sapiens (Human))
BDBM50195183
PNG
(2,4-dichloro-N-((4-(3-(dimethylamino)pyrrolidine-1...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)C(=O)N1CCC(C1)N(C)C
Show InChI InChI=1S/C23H34Cl2N4O4S/c1-4-13-34(32,33)29-11-8-23(9-12-29,22(31)28-10-7-18(15-28)27(2)3)16-26-21(30)19-6-5-17(24)14-20(19)25/h5-6,14,18H,4,7-13,15-16H2,1-3H3,(H,26,30)
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PC cid
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Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2


Bioorg Med Chem Lett 16: 5968-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.131
BindingDB Entry DOI: 10.7270/Q2C82B31
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50195183
PNG
(2,4-dichloro-N-((4-(3-(dimethylamino)pyrrolidine-1...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)C(=O)N1CCC(C1)N(C)C
Show InChI InChI=1S/C23H34Cl2N4O4S/c1-4-13-34(32,33)29-11-8-23(9-12-29,22(31)28-10-7-18(15-28)27(2)3)16-26-21(30)19-6-5-17(24)14-20(19)25/h5-6,14,18H,4,7-13,15-16H2,1-3H3,(H,26,30)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 544n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1


Bioorg Med Chem Lett 16: 5968-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.131
BindingDB Entry DOI: 10.7270/Q2C82B31
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent taurine transporter


(Homo sapiens (Human))
BDBM50195183
PNG
(2,4-dichloro-N-((4-(3-(dimethylamino)pyrrolidine-1...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)C(=O)N1CCC(C1)N(C)C
Show InChI InChI=1S/C23H34Cl2N4O4S/c1-4-13-34(32,33)29-11-8-23(9-12-29,22(31)28-10-7-18(15-28)27(2)3)16-26-21(30)19-6-5-17(24)14-20(19)25/h5-6,14,18H,4,7-13,15-16H2,1-3H3,(H,26,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of human TauT


Bioorg Med Chem Lett 16: 5968-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.131
BindingDB Entry DOI: 10.7270/Q2C82B31
More data for this
Ligand-Target Pair