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SMILES: CN1C(=O)C(CC1(C)C)(C(=O)OCc1ccccc1)c1ncc(cn1)C#Cc1ccccc1

InChI Key: InChIKey=KCKOKWHSVCIPNK-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 196680   
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))		BDBM196680
PNG
(US9212171, 5)
Show SMILES CN1C(=O)C(CC1(C)C)(C(=O)OCc1ccccc1)c1ncc(cn1)C#Cc1ccccc1
Show InChI InChI=1S/C27H25N3O3/c1-26(2)19-27(24(31)30(26)3,25(32)33-18-21-12-8-5-9-13-21)23-28-16-22(17-29-23)15-14-20-10-6-4-7-11-20/h4-13,16-17H,18-19H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 528n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair