BindingDB logo
myBDB logout

PubMed code 11334560

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
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)
BDBM50099216
PNG
((2S,3S)-1-[2-(3-Benzyloxycarbonyl-phenyl)-acetyl]-...)
Show SMILES Oc1ccc(C[C@H]2[C@H](N(C(=O)Cc3cccc(c3)C(=O)OCc3ccccc3)C2=O)C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C34H29NO7/c36-28-16-14-23(15-17-28)19-29-31(34(40)42-22-25-10-5-2-6-11-25)35(32(29)38)30(37)20-26-12-7-13-27(18-26)33(39)41-21-24-8-3-1-4-9-24/h1-18,29,31,36H,19-22H2/t29-,31-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 226n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Prostate specific antigen PSA (Serine Protease)


J Med Chem 44: 1491-508 (2001)


Article DOI: 10.1021/jm000145g
BindingDB Entry DOI: 10.7270/Q2MS3S17
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50099216
PNG
((2S,3S)-1-[2-(3-Benzyloxycarbonyl-phenyl)-acetyl]-...)
Show SMILES Oc1ccc(C[C@H]2[C@H](N(C(=O)Cc3cccc(c3)C(=O)OCc3ccccc3)C2=O)C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C34H29NO7/c36-28-16-14-23(15-17-28)19-29-31(34(40)42-22-25-10-5-2-6-11-25)35(32(29)38)30(37)20-26-12-7-13-27(18-26)33(39)41-21-24-8-3-1-4-9-24/h1-18,29,31,36H,19-22H2/t29-,31-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 348n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Prostate specific antigen PSA (Serine Protease)


J Med Chem 44: 1491-508 (2001)


Article DOI: 10.1021/jm000145g
BindingDB Entry DOI: 10.7270/Q2MS3S17
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50099212
PNG
(3-Benzyl-1-[2-(3-benzyloxycarbonyl-phenyl)-acetyl]...)
Show SMILES NCc1ccc(COC(=O)[C@@H]2[C@H](Cc3ccccc3)C(=O)N2C(=O)Cc2cccc(c2)C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C35H32N2O6/c36-21-25-14-16-27(17-15-25)23-43-35(41)32-30(19-24-8-3-1-4-9-24)33(39)37(32)31(38)20-28-12-7-13-29(18-28)34(40)42-22-26-10-5-2-6-11-26/h1-18,30,32H,19-23,36H2/t30-,32-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.34E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Prostate specific antigen PSA (Serine Protease)


J Med Chem 44: 1491-508 (2001)


Article DOI: 10.1021/jm000145g
BindingDB Entry DOI: 10.7270/Q2MS3S17
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50099218
PNG
((2S,3S)-3-Benzyl-1-[2-(3-benzyloxycarbonyl-phenyl)...)
Show SMILES O=C(Cc1cccc(c1)C(=O)OCc1ccccc1)N1[C@@H]([C@H](Cc2ccccc2)C1=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C34H29NO6/c36-30(21-27-17-10-18-28(19-27)33(38)40-22-25-13-6-2-7-14-25)35-31(34(39)41-23-26-15-8-3-9-16-26)29(32(35)37)20-24-11-4-1-5-12-24/h1-19,29,31H,20-23H2/t29-,31-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.43E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Prostate specific antigen PSA (Serine Protease)


J Med Chem 44: 1491-508 (2001)


Article DOI: 10.1021/jm000145g
BindingDB Entry DOI: 10.7270/Q2MS3S17
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50099214
PNG
(Benzoic acid 1-benzoyl-3-benzyl-4-oxo-azetidin-2-y...)
Show SMILES O=C(OC[C@@H]1[C@H](Cc2ccccc2)C(=O)N1C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H21NO4/c27-23(19-12-6-2-7-13-19)26-22(17-30-25(29)20-14-8-3-9-15-20)21(24(26)28)16-18-10-4-1-5-11-18/h1-15,21-22H,16-17H2/t21-,22+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.59E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Prostate specific antigen PSA (Serine Protease)


J Med Chem 44: 1491-508 (2001)


Article DOI: 10.1021/jm000145g
BindingDB Entry DOI: 10.7270/Q2MS3S17
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50099215
PNG
(Benzoic acid 3-benzyl-1-ethanesulfonyl-4-oxo-azeti...)
Show SMILES CCS(=O)(=O)N1[C@H](COC(=O)c2ccccc2)[C@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C20H21NO5S/c1-2-27(24,25)21-18(14-26-20(23)16-11-7-4-8-12-16)17(19(21)22)13-15-9-5-3-6-10-15/h3-12,17-18H,2,13-14H2,1H3/t17-,18+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.19E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Prostate specific antigen PSA (Serine Protease)


J Med Chem 44: 1491-508 (2001)


Article DOI: 10.1021/jm000145g
BindingDB Entry DOI: 10.7270/Q2MS3S17
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50099209
PNG
(Benzoic acid 1-benzenesulfonyl-3-benzyl-4-oxo-azet...)
Show SMILES O=C(OC[C@@H]1[C@H](Cc2ccccc2)C(=O)N1S(=O)(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H21NO5S/c26-23-21(16-18-10-4-1-5-11-18)22(17-30-24(27)19-12-6-2-7-13-19)25(23)31(28,29)20-14-8-3-9-15-20/h1-15,21-22H,16-17H2/t21-,22+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.08E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Prostate specific antigen PSA (Serine Protease)


J Med Chem 44: 1491-508 (2001)


Article DOI: 10.1021/jm000145g
BindingDB Entry DOI: 10.7270/Q2MS3S17
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50099221
PNG
((2S,3S)-1-[2-(3-Benzyloxycarbonyl-phenyl)-acetyl]-...)
Show SMILES OC(=O)c1ccc(COC(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)C(=O)N2C(=O)Cc2cccc(c2)C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C35H29NO9/c37-28-15-11-22(12-16-28)18-29-31(35(43)45-21-24-9-13-26(14-10-24)33(40)41)36(32(29)39)30(38)19-25-7-4-8-27(17-25)34(42)44-20-23-5-2-1-3-6-23/h1-17,29,31,37H,18-21H2,(H,40,41)/t29-,31-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Prostate specific antigen PSA (Serine Protease)


J Med Chem 44: 1491-508 (2001)


Article DOI: 10.1021/jm000145g
BindingDB Entry DOI: 10.7270/Q2MS3S17
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50099211
PNG
(Benzoic acid 3-benzyl-4-oxo-1-(toluene-4-sulfonyl)...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1[C@H](COC(=O)c2ccccc2)[C@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C25H23NO5S/c1-18-12-14-21(15-13-18)32(29,30)26-23(17-31-25(28)20-10-6-3-7-11-20)22(24(26)27)16-19-8-4-2-5-9-19/h2-15,22-23H,16-17H2,1H3/t22-,23+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.79E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Prostate specific antigen PSA (Serine Protease)


J Med Chem 44: 1491-508 (2001)


Article DOI: 10.1021/jm000145g
BindingDB Entry DOI: 10.7270/Q2MS3S17
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50099213
PNG
((2S,3S)-3-Benzyl-1-{2-[3-(4-carboxy-benzyloxycarbo...)
Show SMILES OC(=O)c1ccc(COC(=O)[C@@H]2[C@H](Cc3ccccc3)C(=O)N2C(=O)Cc2cccc(c2)C(=O)OCc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C36H29NO10/c38-30(19-25-7-4-8-28(17-25)35(44)46-20-23-9-13-26(14-10-23)33(40)41)37-31(29(32(37)39)18-22-5-2-1-3-6-22)36(45)47-21-24-11-15-27(16-12-24)34(42)43/h1-17,29,31H,18-21H2,(H,40,41)(H,42,43)/t29-,31-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.84E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Prostate specific antigen PSA (Serine Protease)


J Med Chem 44: 1491-508 (2001)


Article DOI: 10.1021/jm000145g
BindingDB Entry DOI: 10.7270/Q2MS3S17
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50099205
PNG
((2S,3S)-3-Benzyl-1-[2-(3-benzyloxycarbonyl-phenyl)...)
Show SMILES OC(=O)c1ccc(COC(=O)[C@@H]2[C@H](Cc3ccccc3)C(=O)N2C(=O)Cc2cccc(c2)C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C35H29NO8/c37-30(20-26-12-7-13-28(18-26)34(41)43-21-24-10-5-2-6-11-24)36-31(29(32(36)38)19-23-8-3-1-4-9-23)35(42)44-22-25-14-16-27(17-15-25)33(39)40/h1-18,29,31H,19-22H2,(H,39,40)/t29-,31-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 8.98E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Prostate specific antigen PSA (Serine Protease)


J Med Chem 44: 1491-508 (2001)


Article DOI: 10.1021/jm000145g
BindingDB Entry DOI: 10.7270/Q2MS3S17
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50099219
PNG
(1-Benzoyl-3-(4-hydroxy-benzyl)-4-oxo-azetidine-2-c...)
Show SMILES Oc1ccc(C[C@H]2[C@H](N(C(=O)c3ccccc3)C2=O)C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C25H21NO5/c27-20-13-11-17(12-14-20)15-21-22(25(30)31-16-18-7-3-1-4-8-18)26(24(21)29)23(28)19-9-5-2-6-10-19/h1-14,21-22,27H,15-16H2/t21-,22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 9.14E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Prostate specific antigen PSA (Serine Protease)


J Med Chem 44: 1491-508 (2001)


Article DOI: 10.1021/jm000145g
BindingDB Entry DOI: 10.7270/Q2MS3S17
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50099220
PNG
(Benzoic acid 3-benzyl-1-(4-nitro-benzenesulfonyl)-...)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1[C@H](COC(=O)c2ccccc2)[C@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C24H20N2O7S/c27-23-21(15-17-7-3-1-4-8-17)22(16-33-24(28)18-9-5-2-6-10-18)25(23)34(31,32)20-13-11-19(12-14-20)26(29)30/h1-14,21-22H,15-16H2/t21-,22+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.15E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Prostate specific antigen PSA (Serine Protease)


J Med Chem 44: 1491-508 (2001)


Article DOI: 10.1021/jm000145g
BindingDB Entry DOI: 10.7270/Q2MS3S17
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50099217
PNG
(1-Benzoyl-3-benzyl-4-oxo-azetidine-2-carboxylic ac...)
Show SMILES OC(=O)c1ccc(COC(=O)[C@@H]2[C@H](Cc3ccccc3)C(=O)N2C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C26H21NO6/c28-23(19-9-5-2-6-10-19)27-22(21(24(27)29)15-17-7-3-1-4-8-17)26(32)33-16-18-11-13-20(14-12-18)25(30)31/h1-14,21-22H,15-16H2,(H,30,31)/t21-,22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.43E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Prostate specific antigen PSA (Serine Protease)


J Med Chem 44: 1491-508 (2001)


Article DOI: 10.1021/jm000145g
BindingDB Entry DOI: 10.7270/Q2MS3S17
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50099208
PNG
((2S,3S)-3-Benzyl-1-[2-(3-carboxy-phenyl)-acetyl]-4...)
Show SMILES OC(=O)c1ccc(COC(=O)[C@@H]2[C@H](Cc3ccccc3)C(=O)N2C(=O)Cc2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C28H23NO8/c30-23(15-19-7-4-8-21(13-19)27(34)35)29-24(22(25(29)31)14-17-5-2-1-3-6-17)28(36)37-16-18-9-11-20(12-10-18)26(32)33/h1-13,22,24H,14-16H2,(H,32,33)(H,34,35)/t22-,24-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Prostate specific antigen PSA (Serine Protease)


J Med Chem 44: 1491-508 (2001)


Article DOI: 10.1021/jm000145g
BindingDB Entry DOI: 10.7270/Q2MS3S17
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50099206
PNG
(3-Benzyl-4-oxo-1-(toluene-4-sulfonyl)-azetidine-2-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1[C@@H]([C@H](Cc2ccccc2)C1=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C25H23NO5S/c1-18-12-14-21(15-13-18)32(29,30)26-23(25(28)31-17-20-10-6-3-7-11-20)22(24(26)27)16-19-8-4-2-5-9-19/h2-15,22-23H,16-17H2,1H3/t22-,23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Prostate specific antigen PSA (Serine Protease)


J Med Chem 44: 1491-508 (2001)


Article DOI: 10.1021/jm000145g
BindingDB Entry DOI: 10.7270/Q2MS3S17
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50099207
PNG
(CHEMBL36215 | Terephthalic acid mono-(1-benzoyl-3-...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)OC[C@@H]1[C@H](Cc2ccccc2)C(=O)N1C(=O)c1ccccc1
Show InChI InChI=1S/C26H21NO6/c28-23(18-9-5-2-6-10-18)27-22(21(24(27)29)15-17-7-3-1-4-8-17)16-33-26(32)20-13-11-19(12-14-20)25(30)31/h1-14,21-22H,15-16H2,(H,30,31)/t21-,22+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Prostate specific antigen PSA (Serine Protease)


J Med Chem 44: 1491-508 (2001)


Article DOI: 10.1021/jm000145g
BindingDB Entry DOI: 10.7270/Q2MS3S17
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50099210
PNG
(3-[2-(2-Benzoyloxymethyl-3-benzyl-4-oxo-azetidin-1...)
Show SMILES O=C(Cc1cccc(c1)C(=O)OCc1ccccc1)N1[C@H](COC(=O)c2ccccc2)[C@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C34H29NO6/c36-31(21-26-15-10-18-28(19-26)34(39)40-22-25-13-6-2-7-14-25)35-30(23-41-33(38)27-16-8-3-9-17-27)29(32(35)37)20-24-11-4-1-5-12-24/h1-19,29-30H,20-23H2/t29-,30+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Prostate specific antigen PSA (Serine Protease)


J Med Chem 44: 1491-508 (2001)


Article DOI: 10.1021/jm000145g
BindingDB Entry DOI: 10.7270/Q2MS3S17
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%