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4 similar compounds to monomer 50117808

Compile data set for download or QSAR
Wt: 325.3
BDBM50117815
Wt: 251.2
BDBM50117816
Wt: 267.6
BDBM50117822
Wt: 247.2
BDBM50117827

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50117815,50117816,50117822,50117827   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50117816
PNG
(CHEMBL3613931 | US9505753, 5c)
Show SMILES Oc1nn(CCc2cccc(F)c2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H10FN3O3/c12-8-3-1-2-7(6-8)4-5-15-11(18)13-9(16)10(17)14-15/h1-3,6H,4-5H2,(H,14,17)(H,13,16,18)
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US Patent
n/an/a 60n/an/an/an/a8.525



The Johns Hopkins University

US Patent


Assay Description
A reliable 96-well plate D-amino acid oxidase (DAAO) assay was developed based on previously published reports (J. Biol. Chem. 277: 27782 (2002)). Br...


US Patent US9505753 (2016)


BindingDB Entry DOI: 10.7270/Q21J98QK
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50117822
PNG
(CHEMBL3613927 | US9505753, 5g)
Show SMILES Oc1nn(CCc2ccccc2Cl)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H10ClN3O3/c12-8-4-2-1-3-7(8)5-6-15-11(18)13-9(16)10(17)14-15/h1-4H,5-6H2,(H,14,17)(H,13,16,18)
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US Patent
n/an/a 100n/an/an/an/a8.525



The Johns Hopkins University

US Patent


Assay Description
A reliable 96-well plate D-amino acid oxidase (DAAO) assay was developed based on previously published reports (J. Biol. Chem. 277: 27782 (2002)). Br...


US Patent US9505753 (2016)


BindingDB Entry DOI: 10.7270/Q21J98QK
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50117815
PNG
(CHEMBL3613944 | US9505753, 5ad)
Show SMILES Oc1nn(CCc2cccc(Oc3ccccc3)c2)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H15N3O4/c21-15-16(22)19-20(17(23)18-15)10-9-12-5-4-8-14(11-12)24-13-6-2-1-3-7-13/h1-8,11H,9-10H2,(H,19,22)(H,18,21,23)
PDB
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US Patent
n/an/a 300n/an/an/an/a8.525



The Johns Hopkins University

US Patent


Assay Description
A reliable 96-well plate D-amino acid oxidase (DAAO) assay was developed based on previously published reports (J. Biol. Chem. 277: 27782 (2002)). Br...


US Patent US9505753 (2016)


BindingDB Entry DOI: 10.7270/Q21J98QK
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50117827
PNG
(CHEMBL3613947)
Show SMILES CC(Cn1nc(O)c(=O)[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C12H13N3O3/c1-8(9-5-3-2-4-6-9)7-15-12(18)13-10(16)11(17)14-15/h2-6,8H,7H2,1H3,(H,14,17)(H,13,16,18)
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Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DAAO expressed in HEK cells using D-serine as substrate assessed as formation of alpha-keto acid, ammonia, hydrogen p...


J Med Chem 58: 7258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00482
BindingDB Entry DOI: 10.7270/Q2SF2XZQ
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50117822
PNG
(CHEMBL3613927 | US9505753, 5g)
Show SMILES Oc1nn(CCc2ccccc2Cl)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H10ClN3O3/c12-8-4-2-1-3-7(8)5-6-15-11(18)13-9(16)10(17)14-15/h1-4H,5-6H2,(H,14,17)(H,13,16,18)
PDB
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Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DAAO expressed in HEK cells using D-serine as substrate assessed as formation of alpha-keto acid, ammonia, hydrogen p...


J Med Chem 58: 7258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00482
BindingDB Entry DOI: 10.7270/Q2SF2XZQ
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50117815
PNG
(CHEMBL3613944 | US9505753, 5ad)
Show SMILES Oc1nn(CCc2cccc(Oc3ccccc3)c2)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H15N3O4/c21-15-16(22)19-20(17(23)18-15)10-9-12-5-4-8-14(11-12)24-13-6-2-1-3-7-13/h1-8,11H,9-10H2,(H,19,22)(H,18,21,23)
PDB
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Article
PubMed
n/an/a 240n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DAAO expressed in HEK cells using D-serine as substrate assessed as formation of alpha-keto acid, ammonia, hydrogen p...


J Med Chem 58: 7258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00482
BindingDB Entry DOI: 10.7270/Q2SF2XZQ
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50117816
PNG
(CHEMBL3613931 | US9505753, 5c)
Show SMILES Oc1nn(CCc2cccc(F)c2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H10FN3O3/c12-8-3-1-2-7(6-8)4-5-15-11(18)13-9(16)10(17)14-15/h1-3,6H,4-5H2,(H,14,17)(H,13,16,18)
PDB
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KEGG

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PC sid
UniChem

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Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DAAO expressed in HEK cells using D-serine as substrate assessed as formation of alpha-keto acid, ammonia, hydrogen p...


J Med Chem 58: 7258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00482
BindingDB Entry DOI: 10.7270/Q2SF2XZQ
More data for this
Ligand-Target Pair