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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glutamate carboxypeptidase 2' and Ligand = 'BDBM456900'   
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))
BDBM456900
PNG
(US10736974, Entry 7)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)C(=O)NCCCC[C@@H](OC=O)OC(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C26H30N2O10/c1-36-20-11-9-18(10-12-20)17-5-7-19(8-6-17)24(32)27-15-3-2-4-23(37-16-29)38-26(35)28-21(25(33)34)13-14-22(30)31/h5-12,16,21,23H,2-4,13-15H2,1H3,(H,27,32)(H,28,35)(H,30,31)(H,33,34)/t21-,23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
6n/an/an/an/an/an/an/an/a



THE JOHNS HOPKINS UNIVERSITY

US Patent


Assay Description
The PSMA inhibitory activity was determined using a modification of the fluorescence-based Amplex Red Glutamic Acid Assay. Briefly, lysates of LNCaP ...


US Patent US10736974 (2020)


BindingDB Entry DOI: 10.7270/Q29C71GJ
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM456900
PNG
(US10736974, Entry 7)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)C(=O)NCCCC[C@@H](OC=O)OC(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C26H30N2O10/c1-36-20-11-9-18(10-12-20)17-5-7-19(8-6-17)24(32)27-15-3-2-4-23(37-16-29)38-26(35)28-21(25(33)34)13-14-22(30)31/h5-12,16,21,23H,2-4,13-15H2,1H3,(H,27,32)(H,28,35)(H,30,31)(H,33,34)/t21-,23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 30n/an/an/an/an/an/a



THE JOHNS HOPKINS UNIVERSITY

US Patent


Assay Description
The PSMA inhibitory activity was determined using a modification of the fluorescence-based Amplex Red Glutamic Acid Assay. Briefly, lysates of LNCaP ...


US Patent US10736974 (2020)


BindingDB Entry DOI: 10.7270/Q29C71GJ
More data for this
Ligand-Target Pair