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SMILES: CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(N)cccc2Cl)CCCCC1

InChI Key: InChIKey=JNLBIGAUODXCNF-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50427198   
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- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50427198
PNG
(CHEMBL2324158)
Show SMILES CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(N)cccc2Cl)CCCCC1
Show InChI InChI=1S/C21H33ClN4O3S/c1-2-15-30(28,29)26-13-11-25(12-14-26)21(9-4-3-5-10-21)16-24-20(27)19-17(22)7-6-8-18(19)23/h6-8H,2-5,9-16,23H2,1H3,(H,24,27)
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PC sid
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Article
PubMed
n/an/a 15n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of GlyT1a in human JAR cells assessed as inhibition of [3H]glycine uptake by scintillation proximity assay


Bioorg Med Chem Lett 23: 1257-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.006
BindingDB Entry DOI: 10.7270/Q2WH2RB6
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50427198
PNG
(CHEMBL2324158)
Show SMILES CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(N)cccc2Cl)CCCCC1
Show InChI InChI=1S/C21H33ClN4O3S/c1-2-15-30(28,29)26-13-11-25(12-14-26)21(9-4-3-5-10-21)16-24-20(27)19-17(22)7-6-8-18(19)23/h6-8H,2-5,9-16,23H2,1H3,(H,24,27)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of glycine transporter-1B in human JAR cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycin...


J Med Chem 59: 8473-94 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00914
BindingDB Entry DOI: 10.7270/Q23R0XC7
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50427198
PNG
(CHEMBL2324158)
Show SMILES CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(N)cccc2Cl)CCCCC1
Show InChI InChI=1S/C21H33ClN4O3S/c1-2-15-30(28,29)26-13-11-25(12-14-26)21(9-4-3-5-10-21)16-24-20(27)19-17(22)7-6-8-18(19)23/h6-8H,2-5,9-16,23H2,1H3,(H,24,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>7.50E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter-2 expressed in HEK293 cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by...


J Med Chem 59: 8473-94 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00914
BindingDB Entry DOI: 10.7270/Q23R0XC7
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50427198
PNG
(CHEMBL2324158)
Show SMILES CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(N)cccc2Cl)CCCCC1
Show InChI InChI=1S/C21H33ClN4O3S/c1-2-15-30(28,29)26-13-11-25(12-14-26)21(9-4-3-5-10-21)16-24-20(27)19-17(22)7-6-8-18(19)23/h6-8H,2-5,9-16,23H2,1H3,(H,24,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>7.50E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity assay


Bioorg Med Chem Lett 23: 1257-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.006
BindingDB Entry DOI: 10.7270/Q2WH2RB6
More data for this
Ligand-Target Pair