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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 1' and Ligand = 'BDBM50109655'   
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)		BDBM50109655
PNG
(2-Amino-3-(3-hydroxy-4-naphthalen-1-yl-isoxazol-5-...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1cccc2ccccc12)C(O)=O |wD:1.0,(9.35,-10.71,;9.36,-9.17,;10.69,-8.4,;10.69,-6.86,;9.94,-5.53,;10.97,-4.38,;12.38,-5.01,;13.71,-4.24,;12.21,-6.55,;13.35,-7.58,;13.01,-9.08,;14.15,-10.12,;15.63,-9.66,;15.95,-8.14,;17.4,-7.68,;17.73,-6.17,;16.59,-5.14,;15.13,-5.61,;14.81,-7.11,;8.03,-8.4,;6.69,-9.17,;8.03,-6.86,)|
Show InChI InChI=1S/C16H14N2O4/c17-12(16(20)21)8-13-14(15(19)18-22-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8,17H2,(H,18,19)(H,20,21)/t12-/m0/s1
PDB

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.19E+5n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 1 using established second messenger assay systems.

J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair