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SMILES: Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCOC1CCCCO1

InChI Key: InChIKey=HSUVWNRRZMKYHY-RWLBOTFQSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 174177   
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))		BDBM174177
PNG
(US9688669, Example 38)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCOC1CCCCO1 |r|
Show InChI InChI=1S/C22H21FN2O4/c23-18-7-3-6-16(12-18)21-20(25-22(26)29-21)17-11-15(13-24-14-17)5-4-10-28-19-8-1-2-9-27-19/h3,6-7,11-14,19-21H,1-2,8-10H2,(H,25,26)/t19?,20-,21-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 498n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK293 (ZF) cells stably transfected with human mGluR5A (pIRES neo) and the rat glutamate-aspartate transporter (GLAST; pIRES puro) are grown in a mo...

US Patent US9688669 (2017)


BindingDB Entry DOI: 10.7270/Q25T3HN9
More data for this
Ligand-Target Pair