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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 = 'BDBM50160480'   
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


(RAT)
BDBM50160480
PNG
(CHEMBL3785977)
Show SMILES [H][C@@]12CC[C@](C)([C@H](C1)Nc1nc(C)nc3c1nn1ccccc31)C2(C)C |r,TLB:8:6:2.3:23|
Show InChI InChI=1S/C20H25N5/c1-12-21-16-14-7-5-6-10-25(14)24-17(16)18(22-12)23-15-11-13-8-9-20(15,4)19(13,2)3/h5-7,10,13,15H,8-9,11H2,1-4H3,(H,21,22,23)/t13-,15+,20-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.61E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGluR1 expressed in HEK293 cells assessed as inhibition of glutamate induced calcium mobilization by calcium mo...


Bioorg Med Chem Lett 26: 1894-900 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.026
BindingDB Entry DOI: 10.7270/Q2HT2R7J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50160480
PNG
(CHEMBL3785977)
Show SMILES [H][C@@]12CC[C@](C)([C@H](C1)Nc1nc(C)nc3c1nn1ccccc31)C2(C)C |r,TLB:8:6:2.3:23|
Show InChI InChI=1S/C20H25N5/c1-12-21-16-14-7-5-6-10-25(14)24-17(16)18(22-12)23-15-11-13-8-9-20(15,4)19(13,2)3/h5-7,10,13,15H,8-9,11H2,1-4H3,(H,21,22,23)/t13-,15+,20-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.62E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGluR1 expressed in HEK293 cells assessed as inhibition of glutamate induced calcium mobilization by calcium mo...


Bioorg Med Chem Lett 26: 1894-900 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.026
BindingDB Entry DOI: 10.7270/Q2HT2R7J
More data for this
Ligand-Target Pair