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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'yakubovskaya' and Initial = 'ri'   
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))
BDBM50522950
PNG
(CHEMBL4463310)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccc(Cl)cc1)C(=O)CCCCCN=[N+]=[N-])C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C25H35ClN6O8/c26-18-10-8-17(9-11-18)16-32(21(33)7-2-1-4-14-28-31-27)15-5-3-6-19(23(36)37)29-25(40)30-20(24(38)39)12-13-22(34)35/h8-11,19-20H,1-7,12-16H2,(H,34,35)(H,36,37)(H,38,39)(H2,29,30,40)/t19-,20-/m0/s1
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KEGG

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B.MOAD
DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Lomonosov Moscow State University

Curated by ChEMBL


Assay Description
Inhibition of PSMA in human LNCAP cells using NAAG as substrate measured after 2 hrs by amplex red reagent based fluorescence assay


Bioorg Med Chem Lett 29: 2229-2235 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.035
BindingDB Entry DOI: 10.7270/Q280561X
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50522948
PNG
(CHEMBL4444705)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccc(O)cc1)C(=O)CCCCCN=[N+]=[N-])C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C25H36N6O9/c26-30-27-14-4-1-2-7-21(33)31(16-17-8-10-18(32)11-9-17)15-5-3-6-19(23(36)37)28-25(40)29-20(24(38)39)12-13-22(34)35/h8-11,19-20,32H,1-7,12-16H2,(H,34,35)(H,36,37)(H,38,39)(H2,28,29,40)/t19-,20-/m0/s1
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Lomonosov Moscow State University

Curated by ChEMBL


Assay Description
Inhibition of PSMA in human LNCAP cells using NAAG as substrate measured after 2 hrs by amplex red reagent based fluorescence assay


Bioorg Med Chem Lett 29: 2229-2235 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.035
BindingDB Entry DOI: 10.7270/Q280561X
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50522949
PNG
(CHEMBL4449364)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccc(Br)cc1)C(=O)CCCCCN=[N+]=[N-])C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C25H35BrN6O8/c26-18-10-8-17(9-11-18)16-32(21(33)7-2-1-4-14-28-31-27)15-5-3-6-19(23(36)37)29-25(40)30-20(24(38)39)12-13-22(34)35/h8-11,19-20H,1-7,12-16H2,(H,34,35)(H,36,37)(H,38,39)(H2,29,30,40)/t19-,20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Lomonosov Moscow State University

Curated by ChEMBL


Assay Description
Inhibition of PSMA in human LNCAP cells using NAAG as substrate measured after 2 hrs by amplex red reagent based fluorescence assay


Bioorg Med Chem Lett 29: 2229-2235 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.035
BindingDB Entry DOI: 10.7270/Q280561X
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50265784
PNG
((S)-2-(3-((S)-5-Amino-1-carboxypentyl)ureido)penta...)
Show SMILES NCCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C12H21N3O7/c13-6-2-1-3-7(10(18)19)14-12(22)15-8(11(20)21)4-5-9(16)17/h7-8H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)(H2,14,15,22)/t7-,8-/m0/s1
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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.47E+3n/an/an/an/an/an/a



Lomonosov Moscow State University

Curated by ChEMBL


Assay Description
Inhibition of PSMA in human LNCAP cells using NAAG as substrate measured after 2 hrs by amplex red reagent based fluorescence assay


Bioorg Med Chem Lett 29: 2229-2235 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.035
BindingDB Entry DOI: 10.7270/Q280561X
More data for this
Ligand-Target Pair