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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutamate carboxypeptidase II' and Ligand = 'BDBM50187705'   
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 II


(Homo sapiens (Human))
BDBM50187705
PNG
(CHEMBL3828668)
Show SMILES CN1\C(=C\C=C2/CCCC(\C=C\C3=[N+](CCCCCC(=O)NCCCCC(NC(=O)CCCCCCC(=O)NCCCCC(NC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)C(=O)NCc4ccc(cc4)-c4ccc(O)c(c4)-c4cc5cc(ccc5[nH]4)C(N)=N)c4ccc(cc4C3(C)C)S([O-])(=O)=O)=C2)C(C)(C)c2cc(ccc12)S([O-])(=O)=O |c:12,107|
Show InChI InChI=1/C85H105N11O18S2/c1-84(2)63-50-60(115(109,110)111)33-37-70(63)95(5)73(84)40-27-53-18-17-19-54(46-53)28-41-74-85(3,4)64-51-61(116(112,113)114)34-38-71(64)96(74)45-16-8-11-23-76(99)88-43-14-12-20-66(80(103)90-52-55-25-29-56(30-26-55)57-32-39-72(97)62(48-57)69-49-59-47-58(79(86)87)31-35-65(59)91-69)92-77(100)24-10-7-6-9-22-75(98)89-44-15-13-21-67(81(104)105)93-83(108)94-68(82(106)107)36-42-78(101)102/h25-35,37-41,46-51,66-68H,6-24,36,42-45,52H2,1-5H3,(H15-,86,87,88,89,90,91,92,93,94,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114)/p-1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 28n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of PSMA (unknown origin) assessed as reduction in glutamate formation using NAAG as substrate preincubated for 30 mins followed by substra...


Eur J Med Chem 118: 208-218 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3HB6
More data for this
Ligand-Target Pair