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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 1' and Ligand = 'BDBM50436497'   
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
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50436497
PNG
(CHEMBL2397342)
Show SMILES C[C@@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(F)cn1 |r,TLB:7:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,7:9:12:16.15.14|
Show InChI InChI=1S/C21H28FN3O/c1-14-13-24(19-3-2-18(22)12-23-19)4-5-25(14)20(26)21-9-15-6-16(10-21)8-17(7-15)11-21/h2-3,12,14-17H,4-11,13H2,1H3/t14-,15?,16?,17?,21?/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 414n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR1 expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 23: 3713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.020
BindingDB Entry DOI: 10.7270/Q2Z60QGB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50436497
PNG
(CHEMBL2397342)
Show SMILES C[C@@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(F)cn1 |r,TLB:7:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,7:9:12:16.15.14|
Show InChI InChI=1S/C21H28FN3O/c1-14-13-24(19-3-2-18(22)12-23-19)4-5-25(14)20(26)21-9-15-6-16(10-21)8-17(7-15)11-21/h2-3,12,14-17H,4-11,13H2,1H3/t14-,15?,16?,17?,21?/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 417n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR1 expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 23: 3713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.020
BindingDB Entry DOI: 10.7270/Q2Z60QGB
More data for this
Ligand-Target Pair