BindingDB logo
myBDB logout

BDBM50494347 CHEMBL3088071

SMILES: Cl.[H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(O)=O)Oc1cc(ccc1-c1nnn[nH]1)-c1nccs1

InChI Key: InChIKey=SKZBNTJACPTMFE-RQGFKOSSSA-N

Data: 2 KI

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 = 50494347   
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
Glutamate receptor ionotropic kainate


(Homo sapiens (Human))
BDBM50494347
PNG
(CHEMBL3088071)
Show SMILES Cl.[H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(O)=O)Oc1cc(ccc1-c1nnn[nH]1)-c1nccs1 |r|
Show InChI InChI=1S/C20H22N6O3S.ClH/c27-20(28)16-8-13-7-14(3-1-12(13)10-22-16)29-17-9-11(19-21-5-6-30-19)2-4-15(17)18-23-25-26-24-18;/h2,4-6,9,12-14,16,22H,1,3,7-8,10H2,(H,27,28)(H,23,24,25,26);1H/t12-,13+,14-,16-;/m0./s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
900n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]ATPA from human Gluk1 receptor


Bioorg Med Chem Lett 23: 6463-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.045
BindingDB Entry DOI: 10.7270/Q2XS5ZBW
More data for this
Ligand-Target Pair
Glutamate receptor AMPA 1/2


(Homo sapiens (Human))
BDBM50494347
PNG
(CHEMBL3088071)
Show SMILES Cl.[H][C@@]12CC[C@@H](C[C@]1([H])C[C@H](NC2)C(O)=O)Oc1cc(ccc1-c1nnn[nH]1)-c1nccs1 |r|
Show InChI InChI=1S/C20H22N6O3S.ClH/c27-20(28)16-8-13-7-14(3-1-12(13)10-22-16)29-17-9-11(19-21-5-6-30-19)2-4-15(17)18-23-25-26-24-18;/h2,4-6,9,12-14,16,22H,1,3,7-8,10H2,(H,27,28)(H,23,24,25,26);1H/t12-,13+,14-,16-;/m0./s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.20E+3n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from homomeric recombinant GluA2 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6463-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.045
BindingDB Entry DOI: 10.7270/Q2XS5ZBW
More data for this
Ligand-Target Pair