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BDBM141251 US8653100, 145

SMILES: CCCS(=O)(=O)NCCOc1ccc2CCNC(C(C)c3ccc(Cl)cc3)c2c1

InChI Key: InChIKey=CDJZSSOSGZCBKM-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 141251   
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 1


(Homo sapiens (Human))
BDBM141251
PNG
(US8653100, 145)
Show SMILES CCCS(=O)(=O)NCCOc1ccc2CCNC(C(C)c3ccc(Cl)cc3)c2c1
Show InChI InChI=1S/C22H29ClN2O3S/c1-3-14-29(26,27)25-12-13-28-20-9-6-18-10-11-24-22(21(18)15-20)16(2)17-4-7-19(23)8-5-17/h4-9,15-16,22,24-25H,3,10-14H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
<100n/an/an/an/an/an/a7.5n/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-17...


US Patent US8653100 (2014)


BindingDB Entry DOI: 10.7270/Q2JD4VH9
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM141251
PNG
(US8653100, 145)
Show SMILES CCCS(=O)(=O)NCCOc1ccc2CCNC(C(C)c3ccc(Cl)cc3)c2c1
Show InChI InChI=1S/C22H29ClN2O3S/c1-3-14-29(26,27)25-12-13-28-20-9-6-18-10-11-24-22(21(18)15-20)16(2)17-4-7-19(23)8-5-17/h4-9,15-16,22,24-25H,3,10-14H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a<100n/an/an/an/an/an/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
[3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,000 ...


US Patent US8653100 (2014)


BindingDB Entry DOI: 10.7270/Q2JD4VH9
More data for this
Ligand-Target Pair