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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glycine receptor subunit beta' and Ligand = 'BDBM50229711'   
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 beta


(Homo sapiens (Human))
BDBM50229711
PNG
(CHEMBL4074873)
Show SMILES [H][C@@]12CN(C[C@]1([H])c1cnccc1N(C)C2=O)S(=O)(=O)c1ccc2occc2c1 |r|
Show InChI InChI=1S/C19H17N3O4S/c1-21-17-4-6-20-9-14(17)15-10-22(11-16(15)19(21)23)27(24,25)13-2-3-18-12(8-13)5-7-26-18/h2-9,15-16H,10-11H2,1H3/t15-,16-/m1/s1
PDB

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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 330n/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GlyRalpha3beta expressed in HEK293 cells assessed as potentiation of glycine-induced calcium flux by calcium ...


J Med Chem 61: 2652-2679 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00956
BindingDB Entry DOI: 10.7270/Q23B62RZ
More data for this
Ligand-Target Pair
Glycine receptor subunit beta


(Homo sapiens (Human))
BDBM50229711
PNG
(CHEMBL4074873)
Show SMILES [H][C@@]12CN(C[C@]1([H])c1cnccc1N(C)C2=O)S(=O)(=O)c1ccc2occc2c1 |r|
Show InChI InChI=1S/C19H17N3O4S/c1-21-17-4-6-20-9-14(17)15-10-22(11-16(15)19(21)23)27(24,25)13-2-3-18-12(8-13)5-7-26-18/h2-9,15-16H,10-11H2,1H3/t15-,16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 330n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human glycine alpha3beta receptor expressed in HEK293T cells assessed as glycine-induced increase in current respon...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair