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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 411.4
BDBM136058

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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))
BDBM136058
PNG
(US8853203, 99c | US9650377, Example 99c)
Show SMILES Oc1ccc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
Show InChI InChI=1S/C24H21N5O2/c30-23-7-6-16(11-26-23)17-2-1-3-19-18(17)8-9-29-21(19)10-22(25-12-24(29)31)28-13-20(27-14-28)15-4-5-15/h1-3,6-7,10-11,13-15H,4-5,8-9,12H2,(H,26,30)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention was examined by determination to what extent the glutamate-induced elevation of the intracellular calc...


US Patent US9650377 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GT2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM136058
PNG
(US8853203, 99c | US9650377, Example 99c)
Show SMILES Oc1ccc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
Show InChI InChI=1S/C24H21N5O2/c30-23-7-6-16(11-26-23)17-2-1-3-19-18(17)8-9-29-21(19)10-22(25-12-24(29)31)28-13-20(27-14-28)15-4-5-15/h1-3,6-7,10-11,13-15H,4-5,8-9,12H2,(H,26,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention was examined by determination to what extent the glutamate-induced elevation of the intracellular calc...


US Patent US8853203 (2014)


BindingDB Entry DOI: 10.7270/Q2MP520T
More data for this
Ligand-Target Pair