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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutamate carboxypeptidase 2' and Ligand = 'BDBM479439'   
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
Glutamate carboxypeptidase 2


(Homo sapiens (Human))		BDBM479439
PNG
(US10894807, ID P248)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](Cc1ccc(NC(=O)N2CCN(CC2)C(=O)c2ccc(cc2)-n2cc(CCCF)nn2)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C32H37FN8O9/c33-13-1-2-23-19-41(38-37-23)24-9-5-21(6-10-24)28(44)39-14-16-40(17-15-39)32(50)34-22-7-3-20(4-8-22)18-26(30(47)48)36-31(49)35-25(29(45)46)11-12-27(42)43/h3-10,19,25-26H,1-2,11-18H2,(H,34,50)(H,42,43)(H,45,46)(H,47,48)(H2,35,36,49)/t25-,26-/m0/s1
PDB
MMDB

KEGG

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PC cid
PC sid
UniChem
US Patent
 3.40n/an/an/an/an/an/an/an/a



Siemens Medical Solutions USA, Inc.

US Patent


Assay Description
The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased ...

US Patent US10894807 (2021)


BindingDB Entry DOI: 10.7270/Q2SN0D25
More data for this
Ligand-Target Pair