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BDBM50159745 CHEMBL3786901

SMILES: NCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1

InChI Key: InChIKey=RVAKWTBISFVYTO-NSHDSACASA-N

Data: 6 KI  5 EC50

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 11 hits for monomerid = 50159745   
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 1 (GluA1)


(Rattus norvegicus (Rat))
BDBM50159745
PNG
(CHEMBL3786901)
Show SMILES NCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1
Show InChI InChI=1S/C15H17N7O4/c16-6-8-2-1-3-9(4-8)7-22-19-13(18-21-22)12-10(14(23)20-26-12)5-11(17)15(24)25/h1-4,11H,5-7,16-17H2,(H,20,23)(H,24,25)/t11-/m0/s1
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PubMed
434n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from recombinant rat GluA1 receptor flop isoform expressed in sf9 insect cells


J Med Chem 59: 2244-54 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01982
BindingDB Entry DOI: 10.7270/Q2PK0J1R
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM50159745
PNG
(CHEMBL3786901)
Show SMILES NCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1
Show InChI InChI=1S/C15H17N7O4/c16-6-8-2-1-3-9(4-8)7-22-19-13(18-21-22)12-10(14(23)20-26-12)5-11(17)15(24)25/h1-4,11H,5-7,16-17H2,(H,20,23)(H,24,25)/t11-/m0/s1
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1.53E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from recombinant rat GluA3 receptor flop isoform expressed in sf9 insect cells


J Med Chem 59: 2244-54 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01982
BindingDB Entry DOI: 10.7270/Q2PK0J1R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, AMPA 4


(Rattus norvegicus)
BDBM50159745
PNG
(CHEMBL3786901)
Show SMILES NCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1
Show InChI InChI=1S/C15H17N7O4/c16-6-8-2-1-3-9(4-8)7-22-19-13(18-21-22)12-10(14(23)20-26-12)5-11(17)15(24)25/h1-4,11H,5-7,16-17H2,(H,20,23)(H,24,25)/t11-/m0/s1
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2.75E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from recombinant rat GluA4 receptor flop isoform expressed in sf9 insect cells


J Med Chem 59: 2244-54 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01982
BindingDB Entry DOI: 10.7270/Q2PK0J1R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, AMPA 2


(Rattus norvegicus)
BDBM50159745
PNG
(CHEMBL3786901)
Show SMILES NCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1
Show InChI InChI=1S/C15H17N7O4/c16-6-8-2-1-3-9(4-8)7-22-19-13(18-21-22)12-10(14(23)20-26-12)5-11(17)15(24)25/h1-4,11H,5-7,16-17H2,(H,20,23)(H,24,25)/t11-/m0/s1
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8.15E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from recombinant rat GluA2 receptor flop isoform expressed in sf9 insect cells


J Med Chem 59: 2244-54 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01982
BindingDB Entry DOI: 10.7270/Q2PK0J1R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50159745
PNG
(CHEMBL3786901)
Show SMILES NCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1
Show InChI InChI=1S/C15H17N7O4/c16-6-8-2-1-3-9(4-8)7-22-19-13(18-21-22)12-10(14(23)20-26-12)5-11(17)15(24)25/h1-4,11H,5-7,16-17H2,(H,20,23)(H,24,25)/t11-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]KA from recombinant rat GluK2(V,C,R) receptor expressed in sf9 insect cells


J Med Chem 59: 2244-54 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01982
BindingDB Entry DOI: 10.7270/Q2PK0J1R
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate


(Rattus norvegicus)
BDBM50159745
PNG
(CHEMBL3786901)
Show SMILES NCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1
Show InChI InChI=1S/C15H17N7O4/c16-6-8-2-1-3-9(4-8)7-22-19-13(18-21-22)12-10(14(23)20-26-12)5-11(17)15(24)25/h1-4,11H,5-7,16-17H2,(H,20,23)(H,24,25)/t11-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]KA from recombinant rat GluK3 receptor expressed in sf9 insect cells


J Med Chem 59: 2244-54 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01982
BindingDB Entry DOI: 10.7270/Q2PK0J1R
More data for this
Ligand-Target Pair
Glutamate receptor 1 (GluA1)


(Rattus norvegicus (Rat))
BDBM50159745
PNG
(CHEMBL3786901)
Show SMILES NCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1
Show InChI InChI=1S/C15H17N7O4/c16-6-8-2-1-3-9(4-8)7-22-19-13(18-21-22)12-10(14(23)20-26-12)5-11(17)15(24)25/h1-4,11H,5-7,16-17H2,(H,20,23)(H,24,25)/t11-/m0/s1
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n/an/an/an/a 1.95E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat GluA1 receptor flip isoform expressed in Xenopus laevis oocytes by two-electrode voltage clamp assay


J Med Chem 59: 2244-54 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01982
BindingDB Entry DOI: 10.7270/Q2PK0J1R
More data for this
Ligand-Target Pair
Glutamate receptor 1 (GluA1)


(Rattus norvegicus (Rat))
BDBM50159745
PNG
(CHEMBL3786901)
Show SMILES NCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1
Show InChI InChI=1S/C15H17N7O4/c16-6-8-2-1-3-9(4-8)7-22-19-13(18-21-22)12-10(14(23)20-26-12)5-11(17)15(24)25/h1-4,11H,5-7,16-17H2,(H,20,23)(H,24,25)/t11-/m0/s1
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n/an/an/an/a 2.51E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat GluA1 receptor flop isoform expressed in Xenopus laevis oocytes by two-electrode voltage clamp assay


J Med Chem 59: 2244-54 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01982
BindingDB Entry DOI: 10.7270/Q2PK0J1R
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 2


(Rattus norvegicus)
BDBM50159745
PNG
(CHEMBL3786901)
Show SMILES NCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1
Show InChI InChI=1S/C15H17N7O4/c16-6-8-2-1-3-9(4-8)7-22-19-13(18-21-22)12-10(14(23)20-26-12)5-11(17)15(24)25/h1-4,11H,5-7,16-17H2,(H,20,23)(H,24,25)/t11-/m0/s1
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n/an/an/an/a 4.32E+5n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat GluA2(Q) receptor flip isoform expressed in Xenopus laevis oocytes by two-electrode voltage clamp assay


J Med Chem 59: 2244-54 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01982
BindingDB Entry DOI: 10.7270/Q2PK0J1R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GRIA3


(RAT)
BDBM50159745
PNG
(CHEMBL3786901)
Show SMILES NCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1
Show InChI InChI=1S/C15H17N7O4/c16-6-8-2-1-3-9(4-8)7-22-19-13(18-21-22)12-10(14(23)20-26-12)5-11(17)15(24)25/h1-4,11H,5-7,16-17H2,(H,20,23)(H,24,25)/t11-/m0/s1
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n/an/an/an/a 4.97E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat GluA3 receptor flip isoform expressed in Xenopus laevis oocytes by two-electrode voltage clamp assay


J Med Chem 59: 2244-54 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01982
BindingDB Entry DOI: 10.7270/Q2PK0J1R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, AMPA 4


(Rattus norvegicus)
BDBM50159745
PNG
(CHEMBL3786901)
Show SMILES NCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1
Show InChI InChI=1S/C15H17N7O4/c16-6-8-2-1-3-9(4-8)7-22-19-13(18-21-22)12-10(14(23)20-26-12)5-11(17)15(24)25/h1-4,11H,5-7,16-17H2,(H,20,23)(H,24,25)/t11-/m0/s1
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n/an/an/an/a 1.29E+5n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat GluA4 receptor flip isoform expressed in Xenopus laevis oocytes by two-electrode voltage clamp assay


J Med Chem 59: 2244-54 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01982
BindingDB Entry DOI: 10.7270/Q2PK0J1R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)