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BDBM50151438 (1R,2R,3R,5R,6R)-2-Amino-3-benzhydryloxy-6-fluoro-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid::CHEMBL434536

SMILES: N[C@@]1([C@H]2[C@@H](C[C@H]1OC(c1ccccc1)c1ccccc1)[C@]2(F)C(O)=O)C(O)=O

InChI Key: InChIKey=JDGNIRIWWBLMNA-NROPHMHMSA-N

Data: 2 KI  1 IC50  1 EC50

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 4 hits for monomerid = 50151438   
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
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50151438
PNG
((1R,2R,3R,5R,6R)-2-Amino-3-benzhydryloxy-6-fluoro-...)
Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OC(c1ccccc1)c1ccccc1)[C@]2(F)C(O)=O)C(O)=O
Show InChI InChI=1S/C21H20FNO5/c22-20(18(24)25)14-11-15(21(23,17(14)20)19(26)27)28-16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-17H,11,23H2,(H,24,25)(H,26,27)/t14-,15-,17+,20-,21+/m1/s1
PDB

UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
2.58n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards metabotropic glutamate receptor 2 of rat expressed in CHO cells was determined by using [3H]-MGS0008


J Med Chem 47: 4570-87 (2004)


Article DOI: 10.1021/jm0400294
BindingDB Entry DOI: 10.7270/Q2GH9HFK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3 (mGlu3)


(Rattus norvegicus (Rat))
BDBM50151438
PNG
((1R,2R,3R,5R,6R)-2-Amino-3-benzhydryloxy-6-fluoro-...)
Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OC(c1ccccc1)c1ccccc1)[C@]2(F)C(O)=O)C(O)=O
Show InChI InChI=1S/C21H20FNO5/c22-20(18(24)25)14-11-15(21(23,17(14)20)19(26)27)28-16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-17H,11,23H2,(H,24,25)(H,26,27)/t14-,15-,17+,20-,21+/m1/s1
PDB

UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
3.93n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards metabotropic glutamate receptor 3 of rat expressed in CHO cells was determined by using [3H]-MGS0008


J Med Chem 47: 4570-87 (2004)


Article DOI: 10.1021/jm0400294
BindingDB Entry DOI: 10.7270/Q2GH9HFK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50151438
PNG
((1R,2R,3R,5R,6R)-2-Amino-3-benzhydryloxy-6-fluoro-...)
Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OC(c1ccccc1)c1ccccc1)[C@]2(F)C(O)=O)C(O)=O
Show InChI InChI=1S/C21H20FNO5/c22-20(18(24)25)14-11-15(21(23,17(14)20)19(26)27)28-16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-17H,11,23H2,(H,24,25)(H,26,27)/t14-,15-,17+,20-,21+/m1/s1
PDB

UniProtKB/SwissProt

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n/an/an/an/a>1.00E+5n/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Effective concentration for agonistic activity towards metabotropic glutamate receptor 2 of rat expressed in CHO cells


J Med Chem 47: 4570-87 (2004)


Article DOI: 10.1021/jm0400294
BindingDB Entry DOI: 10.7270/Q2GH9HFK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50151438
PNG
((1R,2R,3R,5R,6R)-2-Amino-3-benzhydryloxy-6-fluoro-...)
Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OC(c1ccccc1)c1ccccc1)[C@]2(F)C(O)=O)C(O)=O
Show InChI InChI=1S/C21H20FNO5/c22-20(18(24)25)14-11-15(21(23,17(14)20)19(26)27)28-16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-17H,11,23H2,(H,24,25)(H,26,27)/t14-,15-,17+,20-,21+/m1/s1
PDB

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n/an/a 24.4n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit metabotropic glutamate receptor 2 activity of rat expressed in CHO cells


J Med Chem 47: 4570-87 (2004)


Article DOI: 10.1021/jm0400294
BindingDB Entry DOI: 10.7270/Q2GH9HFK
More data for this
Ligand-Target Pair