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Compile Data Set for Download or QSAR

Found 74 hits of ec50 data for polymerid = 2337,3714,3716,50006363,50006738   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D-amino-acid oxidase


(Mus musculus)
BDBM210802
PNG
(US10463663, Example 40 | US11129828, Example 40 | ...)
Show SMILES Oc1cc(Cc2ccc(Cl)cc2)n[nH]c1=O
Show InChI InChI=1S/C11H9ClN2O2/c12-8-3-1-7(2-4-8)5-9-6-10(15)11(16)14-13-9/h1-4,6H,5H2,(H,13,15)(H,14,16)
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n/an/an/an/a 4.20n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210802
PNG
(US10463663, Example 40 | US11129828, Example 40 | ...)
Show SMILES Oc1cc(Cc2ccc(Cl)cc2)n[nH]c1=O
Show InChI InChI=1S/C11H9ClN2O2/c12-8-3-1-7(2-4-8)5-9-6-10(15)11(16)14-13-9/h1-4,6H,5H2,(H,13,15)(H,14,16)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50605598
PNG
(CHEMBL5188193)
Show SMILES C[C@]1(COc2cc(Cl)ccc2S1)c1c[nH]c(=O)c(=O)[nH]1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Mus musculus)
BDBM50605598
PNG
(CHEMBL5188193)
Show SMILES C[C@]1(COc2cc(Cl)ccc2S1)c1c[nH]c(=O)c(=O)[nH]1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Mus musculus)
BDBM50605599
PNG
(CHEMBL5178413)
Show SMILES C[C@]1(COc2cc(ccc2S1)C#N)c1c[nH]c(=O)c(=O)[nH]1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50605593
PNG
(CHEMBL5179642)
Show SMILES FC(F)c1ccc2S[C@@H](COc2c1)c1c[nH]c(=O)c(=O)[nH]1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50605597
PNG
(CHEMBL5204161)
Show SMILES C[C@]1(COc2cc(ccc2S1)C(F)(F)F)c1c[nH]c(=O)c(=O)[nH]1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50605592
PNG
(CHEMBL5179643)
Show SMILES Clc1ccc2S[C@@H](COc2c1)c1c[nH]c(=O)c(=O)[nH]1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50605585
PNG
(CHEMBL5208196)
Show SMILES Fc1cc(CSc2c[nH]c(=O)c(=O)[nH]2)ccc1C#N
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Mus musculus)
BDBM50605592
PNG
(CHEMBL5179643)
Show SMILES Clc1ccc2S[C@@H](COc2c1)c1c[nH]c(=O)c(=O)[nH]1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50605599
PNG
(CHEMBL5178413)
Show SMILES C[C@]1(COc2cc(ccc2S1)C#N)c1c[nH]c(=O)c(=O)[nH]1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Mus musculus)
BDBM50605571
PNG
(CHEMBL5173262)
Show SMILES FC(F)(F)c1ccc(CSc2c[nH]c(=O)c(=O)[nH]2)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50605575
PNG
(CHEMBL5180296)
Show SMILES O=c1[nH]cc(SCc2ccc(cc2)C#N)[nH]c1=O
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Mus musculus)
BDBM50605596
PNG
(CHEMBL5189921)
Show SMILES CC1(COc2ccccc2S1)c1c[nH]c(=O)c(=O)[nH]1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Mus musculus)
BDBM50605597
PNG
(CHEMBL5204161)
Show SMILES C[C@]1(COc2cc(ccc2S1)C(F)(F)F)c1c[nH]c(=O)c(=O)[nH]1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50605595
PNG
(CHEMBL5174518)
Show SMILES CS(=O)(=O)c1ccc2S[C@@H](COc2c1)c1c[nH]c(=O)c(=O)[nH]1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Mus musculus)
BDBM50605593
PNG
(CHEMBL5179642)
Show SMILES FC(F)c1ccc2S[C@@H](COc2c1)c1c[nH]c(=O)c(=O)[nH]1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50605589
PNG
(CHEMBL5196542)
Show SMILES FC(F)(F)c1ccc2SC(COc2c1)c1c[nH]c(=O)c(=O)[nH]1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Mus musculus)
BDBM50605575
PNG
(CHEMBL5180296)
Show SMILES O=c1[nH]cc(SCc2ccc(cc2)C#N)[nH]c1=O
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Mus musculus)
BDBM50605569
PNG
(CHEMBL5176414)
Show SMILES FC(F)(F)c1ccc(CCc2[nH]c(=O)c(=O)[nH]c2C#N)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50605580
PNG
(CHEMBL5176574)
Show SMILES FS(F)(F)(F)(F)c1ccc(CSc2c[nH]c(=O)c(=O)[nH]2)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Mus musculus)
BDBM50605574
PNG
(CHEMBL5176256)
Show SMILES Clc1ccc(SCc2c[nH]c(=O)c(=O)[nH]2)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50605600
PNG
(CHEMBL5179598)
Show SMILES C[C@]1(COc2cc(ccc2S1)S(C)(=O)=O)c1c[nH]c(=O)c(=O)[nH]1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50605573
PNG
(CHEMBL5185870)
Show SMILES Clc1ccc(CSc2c[nH]c(=O)c(=O)[nH]2)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50605571
PNG
(CHEMBL5173262)
Show SMILES FC(F)(F)c1ccc(CSc2c[nH]c(=O)c(=O)[nH]2)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Mus musculus)
BDBM50605589
PNG
(CHEMBL5196542)
Show SMILES FC(F)(F)c1ccc2SC(COc2c1)c1c[nH]c(=O)c(=O)[nH]1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50605586
PNG
(CHEMBL5184060)
Show SMILES Fc1cc(SCc2c[nH]c(=O)c(=O)[nH]2)ccc1C#N
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50605578
PNG
(CHEMBL5192292)
Show SMILES CS(=O)(=O)c1ccc(CSc2c[nH]c(=O)c(=O)[nH]2)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50605576
PNG
(CHEMBL5188286)
Show SMILES FC(F)c1ccc(CSc2c[nH]c(=O)c(=O)[nH]2)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50605596
PNG
(CHEMBL5189921)
Show SMILES CC1(COc2ccccc2S1)c1c[nH]c(=O)c(=O)[nH]1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Mus musculus)
BDBM50605580
PNG
(CHEMBL5176574)
Show SMILES FS(F)(F)(F)(F)c1ccc(CSc2c[nH]c(=O)c(=O)[nH]2)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50605567
PNG
(CHEMBL5184409)
Show SMILES FC(F)(F)c1ccc(CCc2[nH]c(=O)c(=O)[nH]c2Cl)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Mus musculus)
BDBM50605572
PNG
(CHEMBL5178658)
Show SMILES FC(F)(F)c1ccc(SCc2c[nH]c(=O)c(=O)[nH]2)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Mus musculus)
BDBM50605573
PNG
(CHEMBL5185870)
Show SMILES Clc1ccc(CSc2c[nH]c(=O)c(=O)[nH]2)cc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Mus musculus)
BDBM50605578
PNG
(CHEMBL5192292)
Show SMILES CS(=O)(=O)c1ccc(CSc2c[nH]c(=O)c(=O)[nH]2)cc1
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n/an/an/an/a 540n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50605569
PNG
(CHEMBL5176414)
Show SMILES FC(F)(F)c1ccc(CCc2[nH]c(=O)c(=O)[nH]c2C#N)cc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Mus musculus)
BDBM50605591
PNG
(CHEMBL5202977)
Show SMILES Fc1ccc2S[C@@H](COc2c1)c1c[nH]c(=O)c(=O)[nH]1 |r|
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n/an/an/an/a 540n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Mus musculus)
BDBM50605587
PNG
(CHEMBL5190430)
Show SMILES Clc1cc(SCc2c[nH]c(=O)c(=O)[nH]2)ccc1C#N
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n/an/an/an/a 560n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50605591
PNG
(CHEMBL5202977)
Show SMILES Fc1ccc2S[C@@H](COc2c1)c1c[nH]c(=O)c(=O)[nH]1 |r|
PDB
MMDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Mus musculus)
BDBM50605576
PNG
(CHEMBL5188286)
Show SMILES FC(F)c1ccc(CSc2c[nH]c(=O)c(=O)[nH]2)cc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Mus musculus)
BDBM50605583
PNG
(CHEMBL5181983)
Show SMILES FC(F)(F)c1ccc(CSc2c[nH]c(=O)c(=O)[nH]2)cn1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50605572
PNG
(CHEMBL5178658)
Show SMILES FC(F)(F)c1ccc(SCc2c[nH]c(=O)c(=O)[nH]2)cc1
PDB
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n/an/an/an/a 600n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50605577
PNG
(CHEMBL5191702)
Show SMILES FC(F)c1ccc(SCc2c[nH]c(=O)c(=O)[nH]2)cc1
PDB
MMDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Mus musculus)
BDBM50605577
PNG
(CHEMBL5191702)
Show SMILES FC(F)c1ccc(SCc2c[nH]c(=O)c(=O)[nH]2)cc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50605594
PNG
(CHEMBL5186374)
Show SMILES O=c1[nH]cc([nH]c1=O)[C@@H]1COc2cc(ccc2S1)C#N |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-amino-acid oxidase


(Mus musculus)
BDBM50605585
PNG
(CHEMBL5208196)
Show SMILES Fc1cc(CSc2c[nH]c(=O)c(=O)[nH]2)ccc1C#N
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50605574
PNG
(CHEMBL5176256)
Show SMILES Clc1ccc(SCc2c[nH]c(=O)c(=O)[nH]2)cc1
PDB
MMDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50605581
PNG
(CHEMBL5183719)
Show SMILES FS(F)(F)(F)(F)c1ccc(SCc2c[nH]c(=O)c(=O)[nH]2)cc1
PDB
MMDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Mus musculus)
BDBM50605590
PNG
(CHEMBL5178002)
Show SMILES O=c1[nH]cc([nH]c1=O)C1COc2ccccc2S1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Mus musculus)
BDBM50605594
PNG
(CHEMBL5186374)
Show SMILES O=c1[nH]cc([nH]c1=O)[C@@H]1COc2cc(ccc2S1)C#N |r|
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n/an/an/an/a 780n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
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