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Compile Data Set for Download or QSAR

Found 66 hits with Last Name = 'petrov' and Initial = 'sa'   
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))
BDBM50587810
PNG
(CHEMBL5193353)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1cccc(Cl)c1)C(=O)CCCCCNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCN=[N+]=[N-])C(O)=O)C(O)=O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01935
BindingDB Entry DOI: 10.7270/Q2NS0ZWP
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50587817
PNG
(CHEMBL5186540)
Show SMILES CN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCc3cn(CCCNC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](Cc4ccccc4)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)Cc4cccc(Cl)c4)nn3)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(C)c2cc(ccc12)S(O)(=O)=O |r,c:8|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.60n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01935
BindingDB Entry DOI: 10.7270/Q2NS0ZWP
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50587818
PNG
(CHEMBL5206903)
Show SMILES CN1\C(=C\C=C2/CCCC(\C=C\C3=[N+](CCCCCC(=O)NCc4cn(CCCNC(=O)[C@H](Cc5ccc(O)cc5)NC(=O)[C@H](Cc5ccccc5)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)Cc5cccc(Cl)c5)nn4)c4ccc(cc4C3(C)C)S([O-])(=O)=O)=C2)C(C)(C)c2cc(ccc12)S(O)(=O)=O |r,c:12,117|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
18n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01935
BindingDB Entry DOI: 10.7270/Q2NS0ZWP
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50592344
PNG
(CHEMBL5205430)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1cccc(Cl)c1)C(=O)CCCCCNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)c(c1)[N+]([O-])=O)C(=O)NCCCN=[N+]=[N-])C(O)=O)C(O)=O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128840
BindingDB Entry DOI: 10.7270/Q2DR30GB
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50592343
PNG
(CHEMBL5202039)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccc(cc1)C(O)=O)C(=O)CCCCCNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)c(c1)[N+]([O-])=O)C(=O)NCCCN=[N+]=[N-])C(O)=O)C(O)=O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128840
BindingDB Entry DOI: 10.7270/Q2DR30GB
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50610872
PNG
(CHEMBL5282876)
Show SMILES [#6]C([#6])([#6])[Si;v4](F)(c1ccc(cc1)-[#6](=O)-[#7]-[#6]-[#6](-[#7]-[#6](=O)-[#6]-[#6](-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6]-1)-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](-[#8])=O)-[#6](-[#8])=O)-[#6](-[#8])=O)-[#6](-[#8])=O)C([#6])([#6])[#6] |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.80n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50587810
PNG
(CHEMBL5193353)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1cccc(Cl)c1)C(=O)CCCCCNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCN=[N+]=[N-])C(O)=O)C(O)=O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01935
BindingDB Entry DOI: 10.7270/Q2NS0ZWP
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50592334
PNG
(CHEMBL5204026)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccc(cc1)C(O)=O)C(=O)CCCCCNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN=[N+]=[N-])C(O)=O)C(O)=O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128840
BindingDB Entry DOI: 10.7270/Q2DR30GB
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50610873
PNG
(CHEMBL5277672)
Show SMILES [#6]C([#6])([#6])[Si;v4](F)(c1ccc(cc1)-[#6](=O)-[#7]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6](-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6]-1)-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](-[#8])=O)-[#6](-[#8])=O)-[#6](-[#8])=O)-[#6](-[#8])=O)C([#6])([#6])[#6] |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 7.10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50587810
PNG
(CHEMBL5193353)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1cccc(Cl)c1)C(=O)CCCCCNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCN=[N+]=[N-])C(O)=O)C(O)=O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113936
BindingDB Entry DOI: 10.7270/Q2V69PKR
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50304738
PNG
(2-(3-((S)-1-carboxy-3-methylbutyl)ureido)pentanedi...)
Show SMILES CC(C)C[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C12H20N2O7/c1-6(2)5-8(11(19)20)14-12(21)13-7(10(17)18)3-4-9(15)16/h6-8H,3-5H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)(H2,13,14,21)/t7-,8-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 11n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128840
BindingDB Entry DOI: 10.7270/Q2DR30GB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50592331
PNG
(CHEMBL5182529)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccccc1[N+]([O-])=O)C(=O)CCCCCNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN=[N+]=[N-])C(O)=O)C(O)=O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128840
BindingDB Entry DOI: 10.7270/Q2DR30GB
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50610874
PNG
(CHEMBL5270524)
Show SMILES CC(C)(C)[Si](F)(c1ccc(cc1)C(=O)NC[C@@H](NC(=O)CC(N1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(O)=O)C(=O)N[C@H](CCCCNC(=O)CCC(=O)NCCC[C@@H](NC(=O)CC[C@H](NC(=O)N[C@@H](Cc1nnn[nH]1)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(C)(C)C |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 16n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50587806
PNG
(CHEMBL5175556)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccc(Br)cc1)C(=O)CCCCCNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCN=[N+]=[N-])C(O)=O)C(O)=O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01935
BindingDB Entry DOI: 10.7270/Q2NS0ZWP
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50610871
PNG
(CHEMBL5270990)
Show SMILES CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCCNC(=O)CCCCCNC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)CS)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)c2ccccc12 |r,c:9|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 19n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50592342
PNG
(CHEMBL5204600)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccc(cc1)C(O)=O)C(=O)CCCCCNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCN=[N+]=[N-])C(O)=O)C(O)=O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128840
BindingDB Entry DOI: 10.7270/Q2DR30GB
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50592332
PNG
(CHEMBL5171332)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1cccc(c1)[N+]([O-])=O)C(=O)CCCCCNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN=[N+]=[N-])C(O)=O)C(O)=O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128840
BindingDB Entry DOI: 10.7270/Q2DR30GB
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50592339
PNG
(CHEMBL5187511)
Show SMILES COc1ccc(CN(CCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(=O)CCCCCNC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCN=[N+]=[N-])c(OC)c1 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128840
BindingDB Entry DOI: 10.7270/Q2DR30GB
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50592340
PNG
(CHEMBL5184954)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccc(O)cc1)C(=O)CCCCCNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN=[N+]=[N-])C(O)=O)C(O)=O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 24n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128840
BindingDB Entry DOI: 10.7270/Q2DR30GB
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50587801
PNG
(CHEMBL5199943)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccc(Cl)cc1)C(=O)CCCCCNC(=O)CCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NCCCN=[N+]=[N-])C(O)=O)C(O)=O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 27n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01935
BindingDB Entry DOI: 10.7270/Q2NS0ZWP
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50587797
PNG
(CHEMBL5174173)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccccc1)C(=O)CCCCCNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN=[N+]=[N-])C(O)=O)C(O)=O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

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


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113936
BindingDB Entry DOI: 10.7270/Q2V69PKR
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50587797
PNG
(CHEMBL5174173)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccccc1)C(=O)CCCCCNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN=[N+]=[N-])C(O)=O)C(O)=O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

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


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01935
BindingDB Entry DOI: 10.7270/Q2NS0ZWP
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50592333
PNG
(CHEMBL5183648)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccc(cc1)[N+]([O-])=O)C(=O)CCCCCNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN=[N+]=[N-])C(O)=O)C(O)=O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 35n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128840
BindingDB Entry DOI: 10.7270/Q2DR30GB
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50587808
PNG
(CHEMBL5191246)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1cccc(Cl)c1)C(=O)CCCCCNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN=[N+]=[N-])C(O)=O)C(O)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01935
BindingDB Entry DOI: 10.7270/Q2NS0ZWP
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50592335
PNG
(CHEMBL5202319)
Show SMILES COc1ccccc1CN(CCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(=O)CCCCCNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN=[N+]=[N-] |r|
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128840
BindingDB Entry DOI: 10.7270/Q2DR30GB
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50587812
PNG
(CHEMBL5204105)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccc(Cl)cc1F)C(=O)CCCCCNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN=[N+]=[N-])C(O)=O)C(O)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01935
BindingDB Entry DOI: 10.7270/Q2NS0ZWP
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50587800
PNG
(CHEMBL5173940)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccc(Cl)cc1)C(=O)CCCCCNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCN=[N+]=[N-])C(O)=O)C(O)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01935
BindingDB Entry DOI: 10.7270/Q2NS0ZWP
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50587807
PNG
(CHEMBL5195613)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1cccc(Cl)c1)C(=O)CCCCCNC(=O)CCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN=[N+]=[N-])C(O)=O)C(O)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01935
BindingDB Entry DOI: 10.7270/Q2NS0ZWP
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50587802
PNG
(CHEMBL5206132)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccc(Br)cc1)C(=O)CCCCCNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN=[N+]=[N-])C(O)=O)C(O)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01935
BindingDB Entry DOI: 10.7270/Q2NS0ZWP
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50592337
PNG
(CHEMBL5182330)
Show SMILES CCOc1ccc(CN(CCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(=O)CCCCCNC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCN=[N+]=[N-])cc1 |r|
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128840
BindingDB Entry DOI: 10.7270/Q2DR30GB
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50587798
PNG
(CHEMBL5176891)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccc(Cl)cc1)C(=O)CCCCCNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN=[N+]=[N-])C(O)=O)C(O)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01935
BindingDB Entry DOI: 10.7270/Q2NS0ZWP
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50014323
PNG
(2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...)
Show SMILES O=c1cc(oc2c3ccccc3ccc12)-c1ccccc1
Show InChI InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H
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Assay Description
Inhibition of CYP1A2 in human liver microsome using phenacetin as substrate


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01157
BindingDB Entry DOI: 10.7270/Q2K64NZW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50587816
PNG
(CHEMBL5209061)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccc(Cl)c(F)c1)C(=O)CCCCCNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCN=[N+]=[N-])C(O)=O)C(O)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01935
BindingDB Entry DOI: 10.7270/Q2NS0ZWP
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50587813
PNG
(CHEMBL5206082)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccc(Cl)c(F)c1)C(=O)CCCCCNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN=[N+]=[N-])C(O)=O)C(O)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01935
BindingDB Entry DOI: 10.7270/Q2NS0ZWP
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50121975
PNG
((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)
Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15|
Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1
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Assay Description
Inhibition of CYP2D6 in human liver microsome using dextromethorphan as substrate


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01157
BindingDB Entry DOI: 10.7270/Q2K64NZW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50587811
PNG
(CHEMBL5181465)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1cccc(Cl)c1)C(=O)CCCCCNC(=O)CCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc(O)c(Br)c1)C(=O)NCCCN=[N+]=[N-])C(O)=O)C(O)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01935
BindingDB Entry DOI: 10.7270/Q2NS0ZWP
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM17659
PNG
((R,S)-2-phosphonomethylpentanedioic acid | 2-(phos...)
Show SMILES OC(=O)CCC(CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)
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Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113936
BindingDB Entry DOI: 10.7270/Q2V69PKR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM17659
PNG
((R,S)-2-phosphonomethylpentanedioic acid | 2-(phos...)
Show SMILES OC(=O)CCC(CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01935
BindingDB Entry DOI: 10.7270/Q2NS0ZWP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM17759
PNG
((2S)-2-(phosphonomethyl)pentanedioic acid | (S)-2-...)
Show SMILES OC(=O)CC[C@H](CP(O)(O)=O)C(O)=O |r|
Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)/t4-/m1/s1
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128840
BindingDB Entry DOI: 10.7270/Q2DR30GB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50592338
PNG
(CHEMBL5206416)
Show SMILES COc1ccc(CN(CCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(=O)CCCCCNC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCN=[N+]=[N-])cc1OC |r|
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128840
BindingDB Entry DOI: 10.7270/Q2DR30GB
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50587805
PNG
(CHEMBL5182882)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccc(Br)cc1)C(=O)CCCCCNC(=O)CCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc(O)c(Br)c1)C(=O)NCCCN=[N+]=[N-])C(O)=O)C(O)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01935
BindingDB Entry DOI: 10.7270/Q2NS0ZWP
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM8610
PNG
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)
Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1
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Assay Description
Inhibition of CYP3A4 in human liver microsome using midazolam as substrate


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01157
BindingDB Entry DOI: 10.7270/Q2K64NZW
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50592341
PNG
(CHEMBL5194802)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccccc1[N+]([O-])=O)C(=O)CCCCCNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCN=[N+]=[N-])C(O)=O)C(O)=O |r|
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128840
BindingDB Entry DOI: 10.7270/Q2DR30GB
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50587809
PNG
(CHEMBL5209008)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1cccc(Cl)c1)C(=O)CCCCCNC(=O)CCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NCCCN=[N+]=[N-])C(O)=O)C(O)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01935
BindingDB Entry DOI: 10.7270/Q2NS0ZWP
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50587815
PNG
(CHEMBL5194398)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccc(Cl)c(F)c1)C(=O)CCCCCNC(=O)CCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NCCCN=[N+]=[N-])C(O)=O)C(O)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01935
BindingDB Entry DOI: 10.7270/Q2NS0ZWP
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50592336
PNG
(CHEMBL5203501)
Show SMILES COc1ccc(CN(CCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(=O)CCCCCNC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCN=[N+]=[N-])cc1 |r|
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128840
BindingDB Entry DOI: 10.7270/Q2DR30GB
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50587796
PNG
(CHEMBL5200623)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccccc1)C(=O)CCCNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN=[N+]=[N-])C(O)=O)C(O)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01935
BindingDB Entry DOI: 10.7270/Q2NS0ZWP
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM8610
PNG
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)
Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1
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Article
PubMed
n/an/a 184n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP3A4 in human liver microsome using testosterone as substrate


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01157
BindingDB Entry DOI: 10.7270/Q2K64NZW
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50587799
PNG
(CHEMBL5184603)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccc(Cl)cc1)C(=O)CCCCCNC(=O)CCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN=[N+]=[N-])C(O)=O)C(O)=O |r|
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n/an/a 226n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01935
BindingDB Entry DOI: 10.7270/Q2NS0ZWP
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50587814
PNG
(CHEMBL5171260)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccc(Cl)c(F)c1)C(=O)CCCCCNC(=O)CCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN=[N+]=[N-])C(O)=O)C(O)=O |r|
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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 294n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01935
BindingDB Entry DOI: 10.7270/Q2NS0ZWP
More data for this
Ligand-Target Pair
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