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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 = 'BDBM50358647'   
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))
BDBM50358647
PNG
(CHEMBL1921900)
Show SMILES OC(=O)CC[C@H](NP(O)(=O)OC[C@H](NC(=O)CC[C@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(O)=O)C(O)=O)C(O)=O |r,wD:18.18,12.12,5.5,(58.79,-21.53,;58.78,-20,;60.12,-19.23,;57.45,-19.23,;56.12,-20,;54.79,-19.23,;53.46,-20,;52.12,-19.23,;53.21,-18.14,;50.79,-20,;52.12,-17.69,;50.79,-16.92,;50.79,-15.39,;49.45,-14.61,;48.13,-15.38,;48.13,-16.92,;46.79,-14.61,;45.47,-15.38,;44.13,-14.61,;42.8,-15.38,;41.47,-14.61,;41.47,-13.08,;40.14,-15.38,;38.8,-14.61,;37.48,-15.38,;36.14,-14.62,;34.81,-15.39,;33.48,-14.62,;32.15,-15.39,;30.81,-14.62,;29.48,-15.39,;28.15,-14.62,;26.82,-15.39,;25.49,-14.62,;24.15,-15.39,;22.82,-14.62,;21.49,-15.39,;20.16,-14.62,;18.82,-15.39,;17.5,-14.62,;16.16,-15.39,;14.83,-14.63,;13.5,-15.39,;12.17,-14.63,;10.83,-15.4,;9.51,-14.63,;8.17,-15.4,;6.84,-14.63,;5.51,-15.4,;4.18,-14.63,;2.84,-15.4,;4.18,-13.09,;2.84,-12.32,;2.84,-10.78,;4.18,-10.02,;5.51,-10.78,;5.51,-12.31,;6.84,-10.01,;8.17,-10.77,;5.73,-8.91,;4.18,-8.47,;2.86,-7.71,;1.53,-8.48,;.19,-7.71,;.2,-6.17,;-1.14,-5.41,;1.52,-5.4,;2.85,-6.16,;4.19,-5.39,;5.53,-6.17,;6.85,-5.4,;8.19,-6.18,;9.52,-5.42,;8.18,-7.72,;6.84,-8.48,;5.52,-7.71,;44.13,-13.07,;45.47,-12.31,;42.8,-12.3,;52.12,-14.62,;53.46,-15.38,;52.12,-13.07,;54.79,-17.68,;56.12,-16.91,;53.45,-16.91,)|
Show InChI InChI=1S/C53H69N4O27P/c58-34-2-5-37-43(30-34)84-44-31-35(59)3-6-38(44)48(37)36-4-1-33(29-39(36)50(65)66)49(64)54-12-14-76-16-18-78-20-22-80-24-26-82-28-27-81-25-23-79-21-19-77-17-15-75-13-11-46(61)55-40(51(67)68)7-9-45(60)56-42(53(71)72)32-83-85(73,74)57-41(52(69)70)8-10-47(62)63/h1-6,29-31,40-42,58H,7-28,32H2,(H,54,64)(H,55,61)(H,56,60)(H,62,63)(H,65,66)(H,67,68)(H,69,70)(H,71,72)(H2,57,73,74)/t40-,41-,42-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.93n/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of PSMA using N-[4-(phenylazo)-benzoyl]-glutamyl-gamma-glutamic acid as substrate after 15 mins by HPLC analysis


Bioorg Med Chem Lett 21: 7013-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.115
BindingDB Entry DOI: 10.7270/Q2PG1S5S
More data for this
Ligand-Target Pair