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PDB code 5CBR

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 4 hits Enzyme Inhibition Constant Data   
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, AMPA 2

  (145/146 > 99%)
(Rattus norvegicus)
BDBM50142614
PNG
(CHEMBL3758336)
Show SMILES N[C@@H](Cc1cc(Cl)c(Cl)c(c1)-c1cncc(O)c1)C(O)=O
Show InChI InChI=1S/C14H12Cl2N2O3/c15-11-2-7(3-12(17)14(20)21)1-10(13(11)16)8-4-9(19)6-18-5-8/h1-2,4-6,12,19H,3,17H2,(H,20,21)/t12-/m0/s1
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PC cid
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PDB
Article
PubMed
1.74E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from full length rat cloned GluA2(R)o receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation count...


J Med Chem 59: 448-61 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01666
BindingDB Entry DOI: 10.7270/Q2VQ34JK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GRIA2

  (144/146 = 99%)
(Homo sapiens (Human))
BDBM50142614
PNG
(CHEMBL3758336)
Show SMILES N[C@@H](Cc1cc(Cl)c(Cl)c(c1)-c1cncc(O)c1)C(O)=O
Show InChI InChI=1S/C14H12Cl2N2O3/c15-11-2-7(3-12(17)14(20)21)1-10(13(11)16)8-4-9(19)6-18-5-8/h1-2,4-6,12,19H,3,17H2,(H,20,21)/t12-/m0/s1
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PC sid
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Article
PubMed
2.26E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from GluA2 LBD (unknown origin) incubated for 2 hrs by liquid scintillation counting method


J Med Chem 59: 448-61 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01666
BindingDB Entry DOI: 10.7270/Q2VQ34JK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GRIA3

  (102/115 = 89%)
(RAT)
BDBM50142614
PNG
(CHEMBL3758336)
Show SMILES N[C@@H](Cc1cc(Cl)c(Cl)c(c1)-c1cncc(O)c1)C(O)=O
Show InChI InChI=1S/C14H12Cl2N2O3/c15-11-2-7(3-12(17)14(20)21)1-10(13(11)16)8-4-9(19)6-18-5-8/h1-2,4-6,12,19H,3,17H2,(H,20,21)/t12-/m0/s1
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Article
PubMed
6.88E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat cloned GluA3o receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting method


J Med Chem 59: 448-61 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01666
BindingDB Entry DOI: 10.7270/Q2VQ34JK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, AMPA 2

  (145/146 > 99%)
(Rattus norvegicus)
BDBM50142614
PNG
(CHEMBL3758336)
Show SMILES N[C@@H](Cc1cc(Cl)c(Cl)c(c1)-c1cncc(O)c1)C(O)=O
Show InChI InChI=1S/C14H12Cl2N2O3/c15-11-2-7(3-12(17)14(20)21)1-10(13(11)16)8-4-9(19)6-18-5-8/h1-2,4-6,12,19H,3,17H2,(H,20,21)/t12-/m0/s1
PDB
MMDB

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Article
PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity against recombinant rat GluA2(Q)i expressed in xenopus oocytes assessed as inhibition of L-glutamate-induced intracellular calciu...


J Med Chem 59: 448-61 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01666
BindingDB Entry DOI: 10.7270/Q2VQ34JK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output