Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM50089909'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50089909 (3-[1-Amino-1-carboxy-2-(9H-thioxanthen-9-yl)-ethyl...) Show SMILES N[C@@](CC1c2ccccc2Sc2ccccc12)([C@@H]1C[C@@H](C1)C(O)=O)C(O)=O |wU:19.24,17.20,1.0,wD:1.1,(-1.1,-9.45,;.38,-9.45,;.38,-10.93,;.4,-12.48,;-.94,-13.25,;-2.28,-12.5,;-3.62,-13.28,;-3.6,-14.82,;-2.27,-15.58,;-.94,-14.81,;.4,-15.58,;1.74,-14.79,;3.09,-15.58,;4.45,-14.79,;4.43,-13.22,;3.09,-12.45,;1.74,-13.24,;.35,-6.51,;1.36,-5.43,;.28,-4.43,;-.73,-5.52,;.23,-2.96,;1.48,-2.17,;-1.08,-2.26,;1.67,-8.73,;1.29,-6.9,;3.27,-8.08,)| Show InChI InChI=1S/C21H21NO4S/c22-21(20(25)26,13-9-12(10-13)19(23)24)11-16-14-5-1-3-7-17(14)27-18-8-4-2-6-15(16)18/h1-8,12-13,16H,9-11,22H2,(H,23,24)(H,25,26)/t12-,13+,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Agonist potency against cloned metabotropic glutamate receptor 5				J Med Chem 43: 2609-45 (2000) BindingDB Entry DOI: 10.7270/Q2DZ090Q
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