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SMILES: CCN(C(=O)c1ccc(cn1)C#Cc1cccc(F)c1)C(C)(C)C

InChI Key: InChIKey=PVJFNFROIFYVIR-UHFFFAOYSA-N

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 2 hits for monomerid = 234210   
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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))
BDBM234210
PNG
(US9359301, 1)
Show SMILES CCN(C(=O)c1ccc(cn1)C#Cc1cccc(F)c1)C(C)(C)C
Show InChI InChI=1S/C20H21FN2O/c1-5-23(20(2,3)4)19(24)18-12-11-16(14-22-18)10-9-15-7-6-8-17(21)13-15/h6-8,11-14H,5H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
42n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger an...


US Patent US9359301 (2016)


BindingDB Entry DOI: 10.7270/Q2KK99ND
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))
BDBM234210
PNG
(US9359301, 1)
Show SMILES CCN(C(=O)c1ccc(cn1)C#Cc1cccc(F)c1)C(C)(C)C
Show InChI InChI=1S/C20H21FN2O/c1-5-23(20(2,3)4)19(24)18-12-11-16(14-22-18)10-9-15-7-6-8-17(21)13-15/h6-8,11-14H,5H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 42n/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger an...


US Patent US9359301 (2016)


BindingDB Entry DOI: 10.7270/Q2KK99ND
More data for this
Ligand-Target Pair