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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for entry = 11024   
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
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM586110
PNG
(5-O-Desmethyl- Omeprazole (RS-D7) | USRE49340, Ran...)
Show SMILES COc1c(C)cnc(CS(=O)c2nc3cc(O)ccc3[nH]2)c1C
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n/an/a 1.19E+3n/an/an/an/an/an/a


TBA

Assay Description
The DAAO enzymatic activity assay was modified according to the report of Oguri et al (Oguri, S., Screening of d-amino acid oxidase inhibitor by a ne...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8CHG
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM82479
PNG
(CAS_132539-06-1 | NSC_4585 | OLANZAPINE | USRE4934...)
Show SMILES CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,18H,7-10H2,1-2H3
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US Patent
n/an/a 3.28E+3n/an/an/an/an/an/a


TBA

Assay Description
The DAAO enzymatic activity assay was modified according to the report of Oguri et al (Oguri, S., Screening of d-amino acid oxidase inhibitor by a ne...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8CHG
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM586207
PNG
(PM-BRL 36610A | USRE49340, Rank 3)
Show SMILES COc1cc(OC[C@@H]2CNCC[C@H]2c2ccc(F)cc2)ccc1O |r|
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n/an/a 3.45E+3n/an/an/an/an/an/a


TBA

Assay Description
The DAAO enzymatic activity assay was modified according to the report of Oguri et al (Oguri, S., Screening of d-amino acid oxidase inhibitor by a ne...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8CHG
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM586222
PNG
(PM-BRL 36583A | USRE49340, Rank 4)
Show SMILES COc1ccc(OC[C@@H]2CNCC[C@H]2c2ccc(F)cc2)cc1O |r|
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n/an/a 3.67E+3n/an/an/an/an/an/a


TBA

Assay Description
The DAAO enzymatic activity assay was modified according to the report of Oguri et al (Oguri, S., Screening of d-amino acid oxidase inhibitor by a ne...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8CHG
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM84745
PNG
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r|
Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
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US Patent
n/an/a 5.47E+3n/an/an/an/an/an/a


TBA

Assay Description
The DAAO enzymatic activity assay was modified according to the report of Oguri et al (Oguri, S., Screening of d-amino acid oxidase inhibitor by a ne...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8CHG
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM586429
PNG
(Amodiaquin | USRE49340, Rank 6)
Show SMILES CCN(CC)Cc1cc(ccc1O):n:c1ccnc2cc(Cl)ccc12
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n/an/a 9.76E+4n/an/an/an/an/an/a


TBA

Assay Description
The DAAO enzymatic activity assay was modified according to the report of Oguri et al (Oguri, S., Screening of d-amino acid oxidase inhibitor by a ne...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8CHG
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50122054
PNG
(8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...)
Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCNCC1 |c:13|
Show InChI InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2
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CHEMBL
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US Patent
n/an/a 1.02E+5n/an/an/an/an/an/a


TBA

Assay Description
The DAAO enzymatic activity assay was modified according to the report of Oguri et al (Oguri, S., Screening of d-amino acid oxidase inhibitor by a ne...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8CHG
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM586486
PNG
(Esomeprazole | USRE49340, Rank 8)
Show SMILES COc1ccc2nc([nH]c2c1)[S@@](=O)Cc1ncc(C)c(OC)c1C |r|
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MCE
PC cid
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n/an/a 1.06E+5n/an/an/an/an/an/a


TBA

Assay Description
The DAAO enzymatic activity assay was modified according to the report of Oguri et al (Oguri, S., Screening of d-amino acid oxidase inhibitor by a ne...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8CHG
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50105085
PNG
(17-cyclobutylmethyl-4,5alpha-epoxymorphinan-3,6alp...)
Show SMILES O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r|
Show InChI InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2/t15-,16+,19-,20-,21+/m0/s1
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n/an/a 1.21E+5n/an/an/an/an/an/a


TBA

Assay Description
The DAAO enzymatic activity assay was modified according to the report of Oguri et al (Oguri, S., Screening of d-amino acid oxidase inhibitor by a ne...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8CHG
More data for this
Ligand-Target Pair