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Compile Data Set for Download or QSAR

Found 118 hits with Last Name = 'berry' and Initial = 'jf'   
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))
BDBM50246899
PNG
((S)-2-(3-((S)-1-carboxy-5-(4-iodobenzamido)pentyl)...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H24IN3O8/c20-12-6-4-11(5-7-12)16(26)21-10-2-1-3-13(17(27)28)22-19(31)23-14(18(29)30)8-9-15(24)25/h4-7,13-14H,1-3,8-10H2,(H,21,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t13-,14-/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-amino-acid oxidase


(Sus scrofa (pig))
BDBM50031467
PNG
(5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE | 5-Hyd...)
Show SMILES OCc1cc(=O)c(O)co1
Show InChI InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
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2.10E+4n/an/an/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Competitive inhibition of pig kidney DAAO using D-Alanine as substrate by Michaelis-Menten plot analysis


Bioorg Med Chem Lett 23: 3910-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.062
BindingDB Entry DOI: 10.7270/Q2K35W2G
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM17762
PNG
(3-[2-carboxy-2-(3-sulfanylpropyl)ethyl]benzoic aci...)
Show SMILES OC(=O)C(CCCS)Cc1cccc(c1)C(O)=O
Show InChI InChI=1S/C13H16O4S/c14-12(15)10-4-1-3-9(7-10)8-11(13(16)17)5-2-6-18/h1,3-4,7,11,18H,2,5-6,8H2,(H,14,15)(H,16,17)
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n/an/a 15n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50332218
PNG
(1-[(3-carboxyphenyl)methyl]-3-(2-mercaptoethyl)-1H...)
Show SMILES OC(=O)c1c(CCS)c2ccccc2n1Cc1cccc(c1)C(O)=O
Show InChI InChI=1S/C19H17NO4S/c21-18(22)13-5-3-4-12(10-13)11-20-16-7-2-1-6-14(16)15(8-9-25)17(20)19(23)24/h1-7,10,25H,8-9,11H2,(H,21,22)(H,23,24)
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n/an/a 22n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50332228
PNG
(1-(3-Carboxyphenyl)-3-(2-mercapto-ethyl)-1H-indole...)
Show SMILES OC(=O)c1c(CCS)c2ccccc2n1-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C18H15NO4S/c20-17(21)11-4-3-5-12(10-11)19-15-7-2-1-6-13(15)14(8-9-24)16(19)18(22)23/h1-7,10,24H,8-9H2,(H,20,21)(H,22,23)
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n/an/a 22n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50332217
PNG
(1-[(2-carboxyphenyl)methyl]-3-(2-mercaptoethyl)-1H...)
Show SMILES OC(=O)c1c(CCS)c2ccccc2n1Cc1ccccc1C(O)=O
Show InChI InChI=1S/C19H17NO4S/c21-18(22)13-6-2-1-5-12(13)11-20-16-8-4-3-7-14(16)15(9-10-25)17(20)19(23)24/h1-8,25H,9-11H2,(H,21,22)(H,23,24)
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n/an/a 22n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50160750
PNG
(CHEMBL3786955)
Show SMILES Oc1nc(SCc2ccc3cc(F)ccc3c2)n[nH]c1=O
Show InChI InChI=1S/C14H10FN3O2S/c15-11-4-3-9-5-8(1-2-10(9)6-11)7-21-14-16-12(19)13(20)17-18-14/h1-6H,7H2,(H,17,20)(H,16,18,19)
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n/an/a 30n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DAAO assessed as oxidative deamination of D-serine in presence of molecular oxygen and FAD after 20 mins


Bioorg Med Chem Lett 26: 2088-91 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.068
BindingDB Entry DOI: 10.7270/Q2RB76HR
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50160756
PNG
(CHEMBL3787162)
Show SMILES Oc1nc(SCc2ccc(Cl)cc2)n[nH]c1=O
Show InChI InChI=1S/C10H8ClN3O2S/c11-7-3-1-6(2-4-7)5-17-10-12-8(15)9(16)13-14-10/h1-4H,5H2,(H,13,16)(H,12,14,15)
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n/an/a 30n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DAAO assessed as oxidative deamination of D-serine in presence of molecular oxygen and FAD after 20 mins


Bioorg Med Chem Lett 26: 2088-91 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.068
BindingDB Entry DOI: 10.7270/Q2RB76HR
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50332221
PNG
(1-[[3-carboxy-5-(1,1-dimethylethyl)phenyl]methyl]-...)
Show SMILES CC(C)(C)c1cc(Cn2c(C(O)=O)c(CCS)c3ccccc23)cc(c1)C(O)=O
Show InChI InChI=1S/C23H25NO4S/c1-23(2,3)16-11-14(10-15(12-16)21(25)26)13-24-19-7-5-4-6-17(19)18(8-9-29)20(24)22(27)28/h4-7,10-12,29H,8-9,13H2,1-3H3,(H,25,26)(H,27,28)
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n/an/a 34n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50160755
PNG
(CHEMBL3785180)
Show SMILES Oc1nc(SCc2ccc(Cl)c(Cl)c2)n[nH]c1=O
Show InChI InChI=1S/C10H7Cl2N3O2S/c11-6-2-1-5(3-7(6)12)4-18-10-13-8(16)9(17)14-15-10/h1-3H,4H2,(H,14,17)(H,13,15,16)
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n/an/a 50n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DAAO assessed as oxidative deamination of D-serine in presence of molecular oxygen and FAD after 20 mins


Bioorg Med Chem Lett 26: 2088-91 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.068
BindingDB Entry DOI: 10.7270/Q2RB76HR
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50160754
PNG
(CHEMBL3786099)
Show SMILES Oc1nc(SCc2ccc(I)cc2)n[nH]c1=O
Show InChI InChI=1S/C10H8IN3O2S/c11-7-3-1-6(2-4-7)5-17-10-12-8(15)9(16)13-14-10/h1-4H,5H2,(H,13,16)(H,12,14,15)
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n/an/a 50n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DAAO assessed as oxidative deamination of D-serine in presence of molecular oxygen and FAD after 20 mins


Bioorg Med Chem Lett 26: 2088-91 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.068
BindingDB Entry DOI: 10.7270/Q2RB76HR
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50332220
PNG
(1-[(2-bromo-5-carboxyphenyl)methyl]-3-(2-mercaptoe...)
Show SMILES OC(=O)c1c(CCS)c2ccccc2n1Cc1cc(ccc1Br)C(O)=O
Show InChI InChI=1S/C19H16BrNO4S/c20-15-6-5-11(18(22)23)9-12(15)10-21-16-4-2-1-3-13(16)14(7-8-26)17(21)19(24)25/h1-6,9,26H,7-8,10H2,(H,22,23)(H,24,25)
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n/an/a 54n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50160748
PNG
(CHEMBL3785719)
Show SMILES Oc1nc(SCc2ccc3OCOc3c2)n[nH]c1=O
Show InChI InChI=1S/C11H9N3O4S/c15-9-10(16)13-14-11(12-9)19-4-6-1-2-7-8(3-6)18-5-17-7/h1-3H,4-5H2,(H,13,16)(H,12,14,15)
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n/an/a 60n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DAAO assessed as oxidative deamination of D-serine in presence of molecular oxygen and FAD after 20 mins


Bioorg Med Chem Lett 26: 2088-91 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.068
BindingDB Entry DOI: 10.7270/Q2RB76HR
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50160761
PNG
(CHEMBL3786114)
Show SMILES Oc1nc(CCc2ccccc2)n[nH]c1=O
Show InChI InChI=1S/C11H11N3O2/c15-10-11(16)14-13-9(12-10)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,16)(H,12,13,15)
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n/an/a 60n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DAAO assessed as oxidative deamination of D-serine in presence of molecular oxygen and FAD after 20 mins


Bioorg Med Chem Lett 26: 2088-91 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.068
BindingDB Entry DOI: 10.7270/Q2RB76HR
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50160762
PNG
(CHEMBL3786396)
Show SMILES Oc1nc(Cc2ccccc2)n[nH]c1=O
Show InChI InChI=1S/C10H9N3O2/c14-9-10(15)13-12-8(11-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,13,15)(H,11,12,14)
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n/an/a 70n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DAAO assessed as oxidative deamination of D-serine in presence of molecular oxygen and FAD after 20 mins


Bioorg Med Chem Lett 26: 2088-91 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.068
BindingDB Entry DOI: 10.7270/Q2RB76HR
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50393070
PNG
(CHEMBL2152731)
Show SMILES Cc1c(F)ccc2n(O)c(=O)[nH]c12
Show InChI InChI=1S/C8H7FN2O2/c1-4-5(9)2-3-6-7(4)10-8(12)11(6)13/h2-3,13H,1H3,(H,10,12)
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n/an/a 70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAAO expressed in HEK293 cells using D-serine as substrate after 20 mins by horseradish peroxidase-coupled assay


ACS Med Chem Lett 3: 839-843 (2012)


Article DOI: 10.1021/ml300212a
BindingDB Entry DOI: 10.7270/Q2WM1FGX
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50393045
PNG
(CHEMBL2152734)
Show SMILES On1c2cc(F)cc(F)c2[nH]c1=O
Show InChI InChI=1S/C7H4F2N2O2/c8-3-1-4(9)6-5(2-3)11(13)7(12)10-6/h1-2,13H,(H,10,12)
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n/an/a 80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAAO expressed in HEK293 cells using D-serine as substrate after 20 mins by horseradish peroxidase-coupled assay


ACS Med Chem Lett 3: 839-843 (2012)


Article DOI: 10.1021/ml300212a
BindingDB Entry DOI: 10.7270/Q2WM1FGX
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50160753
PNG
(CHEMBL3785277)
Show SMILES Oc1nc(SCc2ccc(cc2)-c2ccccc2)n[nH]c1=O
Show InChI InChI=1S/C16H13N3O2S/c20-14-15(21)18-19-16(17-14)22-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,18,21)(H,17,19,20)
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Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DAAO assessed as oxidative deamination of D-serine in presence of molecular oxygen and FAD after 20 mins


Bioorg Med Chem Lett 26: 2088-91 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.068
BindingDB Entry DOI: 10.7270/Q2RB76HR
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM17755
PNG
(2-(3-sulfanylpropyl)pentanedioic acid | 2-MPPA | C...)
Show SMILES OC(=O)CCC(CCCS)C(O)=O
Show InChI InChI=1S/C8H14O4S/c9-7(10)4-3-6(8(11)12)2-1-5-13/h6,13H,1-5H2,(H,9,10)(H,11,12)
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n/an/a 90n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50332223
PNG
(1-[(2-carboxy-5-methoxyphenyl)methyl]-3-(2-mercapt...)
Show SMILES COc1ccc(C(O)=O)c(Cn2c(C(O)=O)c(CCS)c3ccccc23)c1
Show InChI InChI=1S/C20H19NO5S/c1-26-13-6-7-14(19(22)23)12(10-13)11-21-17-5-3-2-4-15(17)16(8-9-27)18(21)20(24)25/h2-7,10,27H,8-9,11H2,1H3,(H,22,23)(H,24,25)
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Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50332219
PNG
(1-[(4-carboxyphenyl)methyl]-3-(2-mercaptoethyl)-1H...)
Show SMILES OC(=O)c1c(CCS)c2ccccc2n1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C19H17NO4S/c21-18(22)13-7-5-12(6-8-13)11-20-16-4-2-1-3-14(16)15(9-10-25)17(20)19(23)24/h1-8,25H,9-11H2,(H,21,22)(H,23,24)
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n/an/a 94n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50436127
PNG
(CHEMBL2397821)
Show SMILES Oc1coc(CSc2ccc(Cl)c(Cl)c2)cc1=O
Show InChI InChI=1S/C12H8Cl2O3S/c13-9-2-1-8(4-10(9)14)18-6-7-3-11(15)12(16)5-17-7/h1-5,16H,6H2
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Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAAO expressed in HEK293 cell lysate assessed as D-Serine conversion to H2O2 after 20 mins by spectrophotometric anal...


Bioorg Med Chem Lett 23: 3910-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.062
BindingDB Entry DOI: 10.7270/Q2K35W2G
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50393063
PNG
(CHEMBL2152724)
Show SMILES COc1cccc2n(O)c(=O)[nH]c12
Show InChI InChI=1S/C8H8N2O3/c1-13-6-4-2-3-5-7(6)9-8(11)10(5)12/h2-4,12H,1H3,(H,9,11)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAAO expressed in HEK293 cells using D-serine as substrate after 20 mins by horseradish peroxidase-coupled assay


ACS Med Chem Lett 3: 839-843 (2012)


Article DOI: 10.1021/ml300212a
BindingDB Entry DOI: 10.7270/Q2WM1FGX
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50393060
PNG
(CHEMBL2152721)
Show SMILES On1c2cccc(F)c2[nH]c1=O
Show InChI InChI=1S/C7H5FN2O2/c8-4-2-1-3-5-6(4)9-7(11)10(5)12/h1-3,12H,(H,9,11)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAAO expressed in HEK293 cells using D-serine as substrate after 20 mins by horseradish peroxidase-coupled assay


ACS Med Chem Lett 3: 839-843 (2012)


Article DOI: 10.1021/ml300212a
BindingDB Entry DOI: 10.7270/Q2WM1FGX
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50160759
PNG
(CHEMBL3786248)
Show SMILES Oc1nc(SCc2ccccc2)n[nH]c1=O
Show InChI InChI=1S/C10H9N3O2S/c14-8-9(15)12-13-10(11-8)16-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,12,15)(H,11,13,14)
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Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DAAO assessed as oxidative deamination of D-serine in presence of molecular oxygen and FAD after 20 mins


Bioorg Med Chem Lett 26: 2088-91 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.068
BindingDB Entry DOI: 10.7270/Q2RB76HR
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50332222
PNG
(1-[(4-bromo-3-carboxyphenyl)methyl]-3-(2-mercaptoe...)
Show SMILES OC(=O)c1c(CCS)c2ccccc2n1Cc1ccc(Br)c(c1)C(O)=O
Show InChI InChI=1S/C19H16BrNO4S/c20-15-6-5-11(9-14(15)18(22)23)10-21-16-4-2-1-3-12(16)13(7-8-26)17(21)19(24)25/h1-6,9,26H,7-8,10H2,(H,22,23)(H,24,25)
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n/an/a 140n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50160749
PNG
(CHEMBL3785419)
Show SMILES Oc1nc(SCc2noc3ccccc23)n[nH]c1=O
Show InChI InChI=1S/C11H8N4O3S/c16-9-10(17)13-14-11(12-9)19-5-7-6-3-1-2-4-8(6)18-15-7/h1-4H,5H2,(H,13,17)(H,12,14,16)
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Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DAAO assessed as oxidative deamination of D-serine in presence of molecular oxygen and FAD after 20 mins


Bioorg Med Chem Lett 26: 2088-91 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.068
BindingDB Entry DOI: 10.7270/Q2RB76HR
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Sus scrofa (pig))
BDBM50393043
PNG
(CHEMBL2152732)
Show SMILES On1c2ccc3CCOc3c2[nH]c1=O
Show InChI InChI=1S/C9H8N2O3/c12-9-10-7-6(11(9)13)2-1-5-3-4-14-8(5)7/h1-2,13H,3-4H2,(H,10,12)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of pig DAAO using D-serine as substrate after 20 mins by horseradish peroxidase-coupled assay


ACS Med Chem Lett 3: 839-843 (2012)


Article DOI: 10.1021/ml300212a
BindingDB Entry DOI: 10.7270/Q2WM1FGX
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50393061
PNG
(CHEMBL2152722)
Show SMILES Cc1cccc2n(O)c(=O)[nH]c12
Show InChI InChI=1S/C8H8N2O2/c1-5-3-2-4-6-7(5)9-8(11)10(6)12/h2-4,12H,1H3,(H,9,11)
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAAO expressed in HEK293 cells using D-serine as substrate after 20 mins by horseradish peroxidase-coupled assay


ACS Med Chem Lett 3: 839-843 (2012)


Article DOI: 10.1021/ml300212a
BindingDB Entry DOI: 10.7270/Q2WM1FGX
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50393955
PNG
(CHEMBL2158320)
Show SMILES Oc1coc(CSc2ccccc2)cc1=O
Show InChI InChI=1S/C12H10O3S/c13-11-6-9(15-7-12(11)14)8-16-10-4-2-1-3-5-10/h1-7,14H,8H2
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Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAAO expressed in HEK293 cell lysate assessed as D-Serine conversion to H2O2 after 20 mins by spectrophotometric anal...


Bioorg Med Chem Lett 23: 3910-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.062
BindingDB Entry DOI: 10.7270/Q2K35W2G
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50436128
PNG
(CHEMBL2397748)
Show SMILES Oc1coc(CSc2ccc(Cl)cc2)cc1=O
Show InChI InChI=1S/C12H9ClO3S/c13-8-1-3-10(4-2-8)17-7-9-5-11(14)12(15)6-16-9/h1-6,15H,7H2
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Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAAO expressed in HEK293 cell lysate assessed as D-Serine conversion to H2O2 after 20 mins by spectrophotometric anal...


Bioorg Med Chem Lett 23: 3910-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.062
BindingDB Entry DOI: 10.7270/Q2K35W2G
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50393954
PNG
(CHEMBL2158321)
Show SMILES Oc1coc(CSc2ccc(F)cc2)cc1=O
Show InChI InChI=1S/C12H9FO3S/c13-8-1-3-10(4-2-8)17-7-9-5-11(14)12(15)6-16-9/h1-6,15H,7H2
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n/an/a 300n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAAO expressed in HEK293 cell lysate assessed as D-Serine conversion to H2O2 after 20 mins by spectrophotometric anal...


Bioorg Med Chem Lett 23: 3910-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.062
BindingDB Entry DOI: 10.7270/Q2K35W2G
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50160758
PNG
(CHEMBL3787187)
Show SMILES CC(C)(C)c1ccc(CSc2n[nH]c(=O)c(O)n2)cc1
Show InChI InChI=1S/C14H17N3O2S/c1-14(2,3)10-6-4-9(5-7-10)8-20-13-15-11(18)12(19)16-17-13/h4-7H,8H2,1-3H3,(H,16,19)(H,15,17,18)
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Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DAAO assessed as oxidative deamination of D-serine in presence of molecular oxygen and FAD after 20 mins


Bioorg Med Chem Lett 26: 2088-91 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.068
BindingDB Entry DOI: 10.7270/Q2RB76HR
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Sus scrofa (pig))
BDBM50393045
PNG
(CHEMBL2152734)
Show SMILES On1c2cc(F)cc(F)c2[nH]c1=O
Show InChI InChI=1S/C7H4F2N2O2/c8-3-1-4(9)6-5(2-3)11(13)7(12)10-6/h1-2,13H,(H,10,12)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of pig DAAO using D-serine as substrate after 20 mins by horseradish peroxidase-coupled assay


ACS Med Chem Lett 3: 839-843 (2012)


Article DOI: 10.1021/ml300212a
BindingDB Entry DOI: 10.7270/Q2WM1FGX
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Sus scrofa (pig))
BDBM50393063
PNG
(CHEMBL2152724)
Show SMILES COc1cccc2n(O)c(=O)[nH]c12
Show InChI InChI=1S/C8H8N2O3/c1-13-6-4-2-3-5-7(6)9-8(11)10(5)12/h2-4,12H,1H3,(H,9,11)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of pig DAAO using D-serine as substrate after 20 mins by horseradish peroxidase-coupled assay


ACS Med Chem Lett 3: 839-843 (2012)


Article DOI: 10.1021/ml300212a
BindingDB Entry DOI: 10.7270/Q2WM1FGX
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Sus scrofa (pig))
BDBM50393061
PNG
(CHEMBL2152722)
Show SMILES Cc1cccc2n(O)c(=O)[nH]c12
Show InChI InChI=1S/C8H8N2O2/c1-5-3-2-4-6-7(5)9-8(11)10(6)12/h2-4,12H,1H3,(H,9,11)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of pig DAAO using D-serine as substrate after 20 mins by horseradish peroxidase-coupled assay


ACS Med Chem Lett 3: 839-843 (2012)


Article DOI: 10.1021/ml300212a
BindingDB Entry DOI: 10.7270/Q2WM1FGX
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50393051
PNG
(CHEMBL2152740)
Show SMILES On1c2cc(F)ccc2[nH]c1=O
Show InChI InChI=1S/C7H5FN2O2/c8-4-1-2-5-6(3-4)10(12)7(11)9-5/h1-3,12H,(H,9,11)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAAO expressed in HEK293 cells using D-serine as substrate after 20 mins by horseradish peroxidase-coupled assay


ACS Med Chem Lett 3: 839-843 (2012)


Article DOI: 10.1021/ml300212a
BindingDB Entry DOI: 10.7270/Q2WM1FGX
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50436134
PNG
(CHEMBL2397742)
Show SMILES Oc1coc(COc2ccc(Cl)c(Cl)c2)cc1=O
Show InChI InChI=1S/C12H8Cl2O4/c13-9-2-1-7(3-10(9)14)17-5-8-4-11(15)12(16)6-18-8/h1-4,6,16H,5H2
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Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAAO expressed in HEK293 cell lysate assessed as D-Serine conversion to H2O2 after 20 mins by spectrophotometric anal...


Bioorg Med Chem Lett 23: 3910-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.062
BindingDB Entry DOI: 10.7270/Q2K35W2G
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50436126
PNG
(CHEMBL2397822)
Show SMILES Oc1coc(CCc2ccccc2)cc1=O
Show InChI InChI=1S/C13H12O3/c14-12-8-11(16-9-13(12)15)7-6-10-4-2-1-3-5-10/h1-5,8-9,15H,6-7H2
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Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAAO expressed in HEK293 cell lysate assessed as D-Serine conversion to H2O2 after 20 mins by spectrophotometric anal...


Bioorg Med Chem Lett 23: 3910-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.062
BindingDB Entry DOI: 10.7270/Q2K35W2G
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Sus scrofa (pig))
BDBM50393060
PNG
(CHEMBL2152721)
Show SMILES On1c2cccc(F)c2[nH]c1=O
Show InChI InChI=1S/C7H5FN2O2/c8-4-2-1-3-5-6(4)9-7(11)10(5)12/h1-3,12H,(H,9,11)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of pig DAAO using D-serine as substrate after 20 mins by horseradish peroxidase-coupled assay


ACS Med Chem Lett 3: 839-843 (2012)


Article DOI: 10.1021/ml300212a
BindingDB Entry DOI: 10.7270/Q2WM1FGX
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Sus scrofa (pig))
BDBM50393051
PNG
(CHEMBL2152740)
Show SMILES On1c2cc(F)ccc2[nH]c1=O
Show InChI InChI=1S/C7H5FN2O2/c8-4-1-2-5-6(3-4)10(12)7(11)9-5/h1-3,12H,(H,9,11)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of pig DAAO using D-serine as substrate after 20 mins by horseradish peroxidase-coupled assay


ACS Med Chem Lett 3: 839-843 (2012)


Article DOI: 10.1021/ml300212a
BindingDB Entry DOI: 10.7270/Q2WM1FGX
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50160751
PNG
(CHEMBL3787311)
Show SMILES Oc1nc(SCC2CCCCC2)n[nH]c1=O
Show InChI InChI=1S/C10H15N3O2S/c14-8-9(15)12-13-10(11-8)16-6-7-4-2-1-3-5-7/h7H,1-6H2,(H,12,15)(H,11,13,14)
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Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DAAO assessed as oxidative deamination of D-serine in presence of molecular oxygen and FAD after 20 mins


Bioorg Med Chem Lett 26: 2088-91 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.068
BindingDB Entry DOI: 10.7270/Q2RB76HR
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50393059
PNG
(CHEMBL2152720)
Show SMILES On1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C7H6N2O2/c10-7-8-5-3-1-2-4-6(5)9(7)11/h1-4,11H,(H,8,10)
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n/an/a 600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAAO expressed in HEK293 cells using D-serine as substrate after 20 mins by horseradish peroxidase-coupled assay


ACS Med Chem Lett 3: 839-843 (2012)


Article DOI: 10.1021/ml300212a
BindingDB Entry DOI: 10.7270/Q2WM1FGX
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50160752
PNG
(CHEMBL3787629)
Show SMILES Oc1nc(SCc2cccc(c2)-c2ccccc2)n[nH]c1=O
Show InChI InChI=1S/C16H13N3O2S/c20-14-15(21)18-19-16(17-14)22-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9H,10H2,(H,18,21)(H,17,19,20)
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n/an/a 700n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DAAO assessed as oxidative deamination of D-serine in presence of molecular oxygen and FAD after 20 mins


Bioorg Med Chem Lett 26: 2088-91 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.068
BindingDB Entry DOI: 10.7270/Q2RB76HR
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Sus scrofa (pig))
BDBM50393070
PNG
(CHEMBL2152731)
Show SMILES Cc1c(F)ccc2n(O)c(=O)[nH]c12
Show InChI InChI=1S/C8H7FN2O2/c1-4-5(9)2-3-6-7(4)10-8(12)11(6)13/h2-3,13H,1H3,(H,10,12)
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n/an/a 700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of pig DAAO using D-serine as substrate after 20 mins by horseradish peroxidase-coupled assay


ACS Med Chem Lett 3: 839-843 (2012)


Article DOI: 10.1021/ml300212a
BindingDB Entry DOI: 10.7270/Q2WM1FGX
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50436135
PNG
(CHEMBL2397741)
Show SMILES Oc1coc(COc2ccc(Cl)cc2)cc1=O
Show InChI InChI=1S/C12H9ClO4/c13-8-1-3-9(4-2-8)16-6-10-5-11(14)12(15)7-17-10/h1-5,7,15H,6H2
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n/an/a 700n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAAO expressed in HEK293 cell lysate assessed as D-Serine conversion to H2O2 after 20 mins by spectrophotometric anal...


Bioorg Med Chem Lett 23: 3910-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.062
BindingDB Entry DOI: 10.7270/Q2K35W2G
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50393043
PNG
(CHEMBL2152732)
Show SMILES On1c2ccc3CCOc3c2[nH]c1=O
Show InChI InChI=1S/C9H8N2O3/c12-9-10-7-6(11(9)13)2-1-5-3-4-14-8(5)7/h1-2,13H,3-4H2,(H,10,12)
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n/an/a 800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAAO expressed in HEK293 cells using D-serine as substrate after 20 mins by horseradish peroxidase-coupled assay


ACS Med Chem Lett 3: 839-843 (2012)


Article DOI: 10.1021/ml300212a
BindingDB Entry DOI: 10.7270/Q2WM1FGX
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50436131
PNG
(CHEMBL2397745)
Show SMILES Oc1coc(COc2ccc3ccccc3c2)cc1=O
Show InChI InChI=1S/C16H12O4/c17-15-8-14(20-10-16(15)18)9-19-13-6-5-11-3-1-2-4-12(11)7-13/h1-8,10,18H,9H2
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n/an/a 800n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAAO expressed in HEK293 cell lysate assessed as D-Serine conversion to H2O2 after 20 mins by spectrophotometric anal...


Bioorg Med Chem Lett 23: 3910-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.062
BindingDB Entry DOI: 10.7270/Q2K35W2G
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50436136
PNG
(CHEMBL2397740)
Show SMILES Oc1coc(COc2ccc(F)cc2)cc1=O
Show InChI InChI=1S/C12H9FO4/c13-8-1-3-9(4-2-8)16-6-10-5-11(14)12(15)7-17-10/h1-5,7,15H,6H2
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n/an/a 800n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAAO expressed in HEK293 cell lysate assessed as D-Serine conversion to H2O2 after 20 mins by spectrophotometric anal...


Bioorg Med Chem Lett 23: 3910-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.062
BindingDB Entry DOI: 10.7270/Q2K35W2G
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50393046
PNG
(CHEMBL2152735)
Show SMILES On1c2ccc(F)cc2[nH]c1=O
Show InChI InChI=1S/C7H5FN2O2/c8-4-1-2-6-5(3-4)9-7(11)10(6)12/h1-3,12H,(H,9,11)
PDB
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n/an/a 900n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAAO expressed in HEK293 cells using D-serine as substrate after 20 mins by horseradish peroxidase-coupled assay


ACS Med Chem Lett 3: 839-843 (2012)


Article DOI: 10.1021/ml300212a
BindingDB Entry DOI: 10.7270/Q2WM1FGX
More data for this
Ligand-Target Pair
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