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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Glycine receptor subunit alpha-1' and Ligand = 'BDBM50415208'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glycine receptor subunit alpha-1


(RAT)
BDBM50415208
PNG
(CHEMBL608418)
Show SMILES CN1[C@@H]2CC[C@@H]1CC(C2)OC(=O)c1cccnc1 |r,THB:9:7:1:3.4|
Show InChI InChI=1S/C14H18N2O2/c1-16-11-4-5-12(16)8-13(7-11)18-14(17)10-3-2-6-15-9-10/h2-3,6,9,11-13H,4-5,7-8H2,1H3/t11-,12-/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 58.9n/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]strychnine from GlyR high affinity site in Wistar rat spinal cord by scintillation spectrometry


Bioorg Med Chem 17: 6872-8 (2009)


Article DOI: 10.1016/j.bmc.2009.08.029
BindingDB Entry DOI: 10.7270/Q2DJ5FQJ
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(RAT)
BDBM50415208
PNG
(CHEMBL608418)
Show SMILES CN1[C@@H]2CC[C@@H]1CC(C2)OC(=O)c1cccnc1 |r,THB:9:7:1:3.4|
Show InChI InChI=1S/C14H18N2O2/c1-16-11-4-5-12(16)8-13(7-11)18-14(17)10-3-2-6-15-9-10/h2-3,6,9,11-13H,4-5,7-8H2,1H3/t11-,12-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.27E+3n/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]strychnine from GlyR in Wistar rat spinal cord by scintillation spectrometry


Bioorg Med Chem 17: 6872-8 (2009)


Article DOI: 10.1016/j.bmc.2009.08.029
BindingDB Entry DOI: 10.7270/Q2DJ5FQJ
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(RAT)
BDBM50415208
PNG
(CHEMBL608418)
Show SMILES CN1[C@@H]2CC[C@@H]1CC(C2)OC(=O)c1cccnc1 |r,THB:9:7:1:3.4|
Show InChI InChI=1S/C14H18N2O2/c1-16-11-4-5-12(16)8-13(7-11)18-14(17)10-3-2-6-15-9-10/h2-3,6,9,11-13H,4-5,7-8H2,1H3/t11-,12-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.29E+4n/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]strychnine from GlyR low affinity site in Wistar rat spinal cord by scintillation spectrometry


Bioorg Med Chem 17: 6872-8 (2009)


Article DOI: 10.1016/j.bmc.2009.08.029
BindingDB Entry DOI: 10.7270/Q2DJ5FQJ
More data for this
Ligand-Target Pair