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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glutamate receptor ionotropic, kainate 2' and Ligand = 'BDBM50053082'   
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
Glutamate receptor ionotropic, kainate 2


(Rattus norvegicus)
BDBM50053082
PNG
((2S,3S,4S)-4-[1-(4-Butyl-phenyl)-vinyl]-3-carboxym...)
Show SMILES CCCCc1ccc(cc1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C19H25NO4/c1-3-4-5-13-6-8-14(9-7-13)12(2)16-11-20-18(19(23)24)15(16)10-17(21)22/h6-9,15-16,18,20H,2-5,10-11H2,1H3,(H,21,22)(H,23,24)/t15-,16+,18-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
4.80n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutamate receptor ionotropic, kainate 2


(Homo sapiens (Human))
BDBM50053082
PNG
((2S,3S,4S)-4-[1-(4-Butyl-phenyl)-vinyl]-3-carboxym...)
Show SMILES CCCCc1ccc(cc1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C19H25NO4/c1-3-4-5-13-6-8-14(9-7-13)12(2)16-11-20-18(19(23)24)15(16)10-17(21)22/h6-9,15-16,18,20H,2-5,10-11H2,1H3,(H,21,22)(H,23,24)/t15-,16+,18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
146n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair