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SMILES: COc1cc(ccc1O)C(NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O

InChI Key: InChIKey=SFZQIYDHDCWNKU-UCFFOFKASA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50304730   
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
Glutamate carboxypeptidase 2


(Homo sapiens (Human))		BDBM50304730
PNG
((S)-2-(3-(Carboxy(4-hydroxy-3-methoxyphenyl)methyl...)
Show SMILES COc1cc(ccc1O)C(NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C23H26IN3O8/c1-35-18-12-14(7-10-17(18)28)19(22(32)33)27-23(34)26-16(21(30)31)4-2-3-11-25-20(29)13-5-8-15(24)9-6-13/h5-10,12,16,19,28H,2-4,11H2,1H3,(H,25,29)(H,30,31)(H,32,33)(H2,26,27,34)/t16-,19?/m0/s1
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KEGG

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PC cid
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Similars
Article
PubMed
 285n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2

Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair