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BDBM50142618 CHEMBL3759959

SMILES: N[C@H](Cc1cccc(c1)-c1cccc(O)c1)C(O)=O

InChI Key: InChIKey=KLQKIRKWYATAMF-CQSZACIVSA-N

Data: 7 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

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 8 hits for monomerid = 50142618   
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, AMPA 2


(Rattus norvegicus)
BDBM50142618
PNG
(CHEMBL3759959)
Show SMILES N[C@H](Cc1cccc(c1)-c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C15H15NO3/c16-14(15(18)19)8-10-3-1-4-11(7-10)12-5-2-6-13(17)9-12/h1-7,9,14,17H,8,16H2,(H,18,19)/t14-/m1/s1
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Article
PubMed
2.40E+4n/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)
Glutamate receptor ionotropic, kainate


(Rattus norvegicus)
BDBM50142618
PNG
(CHEMBL3759959)
Show SMILES N[C@H](Cc1cccc(c1)-c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C15H15NO3/c16-14(15(18)19)8-10-3-1-4-11(7-10)12-5-2-6-13(17)9-12/h1-7,9,14,17H,8,16H2,(H,18,19)/t14-/m1/s1
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PubMed
3.96E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from cloned rat GluK3A 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
Glutamate receptor 1 (GluA1)


(Rattus norvegicus (Rat))
BDBM50142618
PNG
(CHEMBL3759959)
Show SMILES N[C@H](Cc1cccc(c1)-c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C15H15NO3/c16-14(15(18)19)8-10-3-1-4-11(7-10)12-5-2-6-13(17)9-12/h1-7,9,14,17H,8,16H2,(H,18,19)/t14-/m1/s1
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PubMed
5.41E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat cloned GluA1o 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
GRIA3


(RAT)
BDBM50142618
PNG
(CHEMBL3759959)
Show SMILES N[C@H](Cc1cccc(c1)-c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C15H15NO3/c16-14(15(18)19)8-10-3-1-4-11(7-10)12-5-2-6-13(17)9-12/h1-7,9,14,17H,8,16H2,(H,18,19)/t14-/m1/s1
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PC sid
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Article
PubMed
5.47E+4n/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)
GRIA2


(Homo sapiens (Human))
BDBM50142618
PNG
(CHEMBL3759959)
Show SMILES N[C@H](Cc1cccc(c1)-c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C15H15NO3/c16-14(15(18)19)8-10-3-1-4-11(7-10)12-5-2-6-13(17)9-12/h1-7,9,14,17H,8,16H2,(H,18,19)/t14-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
8.40E+4n/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)
Glutamate kainate


(RAT)
BDBM50142618
PNG
(CHEMBL3759959)
Show SMILES N[C@H](Cc1cccc(c1)-c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C15H15NO3/c16-14(15(18)19)8-10-3-1-4-11(7-10)12-5-2-6-13(17)9-12/h1-7,9,14,17H,8,16H2,(H,18,19)/t14-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

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Article
PubMed
1.05E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from recombinant rat GluK1(Q)1b receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting...


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
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50142618
PNG
(CHEMBL3759959)
Show SMILES N[C@H](Cc1cccc(c1)-c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C15H15NO3/c16-14(15(18)19)8-10-3-1-4-11(7-10)12-5-2-6-13(17)9-12/h1-7,9,14,17H,8,16H2,(H,18,19)/t14-/m1/s1
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Reactome pathway
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Article
PubMed
1.36E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from cloned rat GluK2(V,C,R)A receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting m...


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
Glutamate receptor ionotropic, AMPA 2


(Rattus norvegicus)
BDBM50142618
PNG
(CHEMBL3759959)
Show SMILES N[C@H](Cc1cccc(c1)-c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C15H15NO3/c16-14(15(18)19)8-10-3-1-4-11(7-10)12-5-2-6-13(17)9-12/h1-7,9,14,17H,8,16H2,(H,18,19)/t14-/m1/s1
PDB
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Reactome pathway
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Article
PubMed
n/an/a 6.30E+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)