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2 similar compounds to monomer 50138568

Compile data set for download or QSAR
Wt: 426.5
BDBM50138558
Wt: 440.5
BDBM50138575

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50138558,50138575   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glycine transporter 2


(Homo sapiens (Human))
BDBM50138558
PNG
(2-[(6-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-ylam...)
Show SMILES Oc1ccc2CC(CCc2c1)NCc1ccccc1C(=O)NCC\C=C\c1ccccc1
Show InChI InChI=1S/C28H30N2O2/c31-26-16-14-22-18-25(15-13-23(22)19-26)30-20-24-11-4-5-12-27(24)28(32)29-17-7-6-10-21-8-2-1-3-9-21/h1-6,8-12,14,16,19,25,30-31H,7,13,15,17-18,20H2,(H,29,32)/b10-6+
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Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Pharmacopeia Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.080
BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair
Glycine transporter 2


(Homo sapiens (Human))
BDBM50138575
PNG
(2-[(2-Hydroxy-6,7,8,9-tetrahydro-5H-benzocyclohept...)
Show SMILES Oc1ccc2CC(CCCc2c1)NCc1ccccc1C(=O)NCC\C=C\c1ccccc1
Show InChI InChI=1S/C29H32N2O2/c32-27-17-16-24-19-26(14-8-13-23(24)20-27)31-21-25-12-4-5-15-28(25)29(33)30-18-7-6-11-22-9-2-1-3-10-22/h1-6,9-12,15-17,20,26,31-32H,7-8,13-14,18-19,21H2,(H,30,33)/b11-6+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Pharmacopeia Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line


Bioorg Med Chem Lett 14: 545-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.080
BindingDB Entry DOI: 10.7270/Q2M9083Z
More data for this
Ligand-Target Pair