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PubMed code 26309148

Compile data set for download or QSAR
Found 43 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
D-amino-acid oxidase


(Homo sapiens (Human))		BDBM50117763
PNG
(CHEMBL3613921 | US9505753, 5u)
Show SMILES Oc1nn(Cc2cccc3ccccc23)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H11N3O3/c18-12-13(19)16-17(14(20)15-12)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,16,19)(H,15,18,20)
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 60n/an/an/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human DAAO expressed in HEK cells by double reciprocal plot analysis in presence of D-serine

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))		BDBM50117818
PNG
(CHEMBL3613929 | US9505753, 5e)
Show SMILES Oc1nn(CCc2ccc(Cl)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H10ClN3O3/c12-8-3-1-7(2-4-8)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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n/an/a 40n/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))		BDBM50117819
PNG
(CHEMBL3613951 | US9505753, 16)
Show SMILES Oc1nn(CCc2ccccc2)c(=S)[nH]c1=O
Show InChI InChI=1S/C11H11N3O2S/c15-9-10(16)13-14(11(17)12-9)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,16)(H,12,15,17)
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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 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))		BDBM50117817
PNG
(CHEMBL3613932 | US9505753, 5b)
Show SMILES Oc1nn(CCc2ccc(F)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H10FN3O3/c12-8-3-1-7(2-4-8)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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n/an/a 50n/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))		BDBM50117813
PNG
(CHEMBL3613946 | US9505753, 5o)
Show SMILES Oc1nn(CCc2ccc(cc2)-c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H15N3O3/c21-15-16(22)19-20(17(23)18-15)11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,19,22)(H,18,21,23)
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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 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))		BDBM50117763
PNG
(CHEMBL3613921 | US9505753, 5u)
Show SMILES Oc1nn(Cc2cccc3ccccc23)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H11N3O3/c18-12-13(19)16-17(14(20)15-12)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,16,19)(H,15,18,20)
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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 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))		BDBM50117824
PNG
(CHEMBL3613928 | US9505753, 5f)
Show SMILES Oc1nn(CCc2cccc(Cl)c2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H10ClN3O3/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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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
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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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
D-amino-acid oxidase


(Homo sapiens (Human))		BDBM50117757
PNG
(CHEMBL3613934 | US9505753, 5i)
Show SMILES Cc1cccc(CCn2nc(O)c(=O)[nH]c2=O)c1
Show InChI InChI=1S/C12H13N3O3/c1-8-3-2-4-9(7-8)5-6-15-12(18)13-10(16)11(17)14-15/h2-4,7H,5-6H2,1H3,(H,14,17)(H,13,16,18)
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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 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))		BDBM50117764
PNG
(CHEMBL3613918 | US9505753, 5a)
Show SMILES Oc1nn(CCc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H11N3O3/c15-9-10(16)13-14(11(17)12-9)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,16)(H,12,15,17)
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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 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))		BDBM50117821
PNG
(CHEMBL3613952)
Show SMILES Oc1cn(CCc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H12N2O3/c15-10-8-14(12(17)13-11(10)16)7-6-9-4-2-1-3-5-9/h1-5,8,15H,6-7H2,(H,13,16,17)
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n/an/a 80n/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))		BDBM50117808
PNG
(CHEMBL3613937 | US9505753, 5k)
Show SMILES Oc1nn(CCc2ccc(cc2)C(F)(F)F)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H10F3N3O3/c13-12(14,15)8-3-1-7(2-4-8)5-6-18-11(21)16-9(19)10(20)17-18/h1-4H,5-6H2,(H,17,20)(H,16,19,21)
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n/an/a 80n/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))		BDBM50117811
PNG
(CHEMBL3613945)
Show SMILES Oc1nn(CCc2ccc(Oc3ccccc3)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H15N3O4/c21-15-16(22)19-20(17(23)18-15)11-10-12-6-8-14(9-7-12)24-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,19,22)(H,18,21,23)
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n/an/a 80n/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))		BDBM50117820
PNG
(CHEMBL3613930 | US9505753, 5d)
Show SMILES Oc1nn(CCc2ccccc2F)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H10FN3O3/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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n/an/a 80n/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))		BDBM50117760
PNG
(CHEMBL3613933 | US9505753, 5j)
Show SMILES Cc1ccccc1CCn1nc(O)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H13N3O3/c1-8-4-2-3-5-9(8)6-7-15-12(18)13-10(16)11(17)14-15/h2-5H,6-7H2,1H3,(H,14,17)(H,13,16,18)
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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))		BDBM50117767
PNG
(CHEMBL3613941 | US9505753, 5vp)
Show SMILES Oc1ccccc1CCn1nc(O)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H11N3O4/c15-8-4-2-1-3-7(8)5-6-14-11(18)12-9(16)10(17)13-14/h1-4,15H,5-6H2,(H,13,17)(H,12,16,18)
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n/an/a 90n/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))		BDBM50117759
PNG
(CHEMBL3613935 | US9505753, 5h)
Show SMILES Cc1ccc(CCn2nc(O)c(=O)[nH]c2=O)cc1
Show InChI InChI=1S/C12H13N3O3/c1-8-2-4-9(5-3-8)6-7-15-12(18)13-10(16)11(17)14-15/h2-5H,6-7H2,1H3,(H,14,17)(H,13,16,18)
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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))		BDBM50117809
PNG
(CHEMBL3613922 | US9505753, 5n)
Show SMILES Oc1nn(CCc2cccc3ccccc23)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H13N3O3/c19-13-14(20)17-18(15(21)16-13)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2,(H,17,20)(H,16,19,21)
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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)
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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))		BDBM50117806
PNG
(CHEMBL3613936 | US9505753, 5l)
Show SMILES Oc1nn(CCc2cccc(c2)C(F)(F)F)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H10F3N3O3/c13-12(14,15)8-3-1-2-7(6-8)4-5-18-11(21)16-9(19)10(20)17-18/h1-3,6H,4-5H2,(H,17,20)(H,16,19,21)
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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))		BDBM50117814
PNG
(CHEMBL3613943 | US9505753, 5xp)
Show SMILES Oc1ccc(CCn2nc(O)c(=O)[nH]c2=O)cc1
Show InChI InChI=1S/C11H11N3O4/c15-8-3-1-7(2-4-8)5-6-14-11(18)12-9(16)10(17)13-14/h1-4,15H,5-6H2,(H,13,17)(H,12,16,18)
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n/an/a 110n/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))		BDBM50117765
PNG
(CHEMBL3613940 | US9505753, 5ac)
Show SMILES COc1ccc(CCn2nc(O)c(=O)[nH]c2=O)cc1
Show InChI InChI=1S/C12H13N3O4/c1-19-9-4-2-8(3-5-9)6-7-15-12(18)13-10(16)11(17)14-15/h2-5H,6-7H2,1H3,(H,14,17)(H,13,16,18)
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n/an/a 120n/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))		BDBM50117771
PNG
(CHEMBL3613939 | US9505753, 5w)
Show SMILES COc1cccc(CCn2nc(O)c(=O)[nH]c2=O)c1
Show InChI InChI=1S/C12H13N3O4/c1-19-9-4-2-3-8(7-9)5-6-15-12(18)13-10(16)11(17)14-15/h2-4,7H,5-6H2,1H3,(H,14,17)(H,13,16,18)
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n/an/a 120n/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))		BDBM50117762
PNG
(CHEMBL3613942 | US9505753, 5wp)
Show SMILES Oc1cccc(CCn2nc(O)c(=O)[nH]c2=O)c1
Show InChI InChI=1S/C11H11N3O4/c15-8-3-1-2-7(6-8)4-5-14-11(18)12-9(16)10(17)13-14/h1-3,6,15H,4-5H2,(H,13,17)(H,12,16,18)
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n/an/a 160n/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))		BDBM50117761
PNG
(CHEMBL3613920 | US9505753, 5aa)
Show SMILES Oc1nn(Cc2ccc3ccccc3c2)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H11N3O3/c18-12-13(19)16-17(14(20)15-12)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H,16,19)(H,15,18,20)
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n/an/a 220n/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)
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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))		BDBM50117805
PNG
(CHEMBL3613914 | US9505753, 5q)
Show SMILES CC(C)CCn1nc(O)c(=O)[nH]c1=O
Show InChI InChI=1S/C8H13N3O3/c1-5(2)3-4-11-8(14)9-6(12)7(13)10-11/h5H,3-4H2,1-2H3,(H,10,13)(H,9,12,14)
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n/an/a 260n/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))		BDBM50117769
PNG
(CHEMBL3613938 | US9505753, 5v)
Show SMILES COc1ccccc1CCn1nc(O)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H13N3O4/c1-19-9-5-3-2-4-8(9)6-7-15-12(18)13-10(16)11(17)14-15/h2-5H,6-7H2,1H3,(H,14,17)(H,13,16,18)
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n/an/a 270n/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))		BDBM50117828
PNG
(CHEMBL3613926 | US9505753, 10g)
Show SMILES Oc1nn(CCn2ccc3cccnc23)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H11N5O3/c18-10-11(19)15-17(12(20)14-10)7-6-16-5-3-8-2-1-4-13-9(8)16/h1-5H,6-7H2,(H,15,19)(H,14,18,20)
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n/an/a 310n/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))		BDBM50117812
PNG
(CHEMBL3613924 | US9505753, 10d)
Show SMILES Oc1nn(CCn2cccn2)c(=O)[nH]c1=O
Show InChI InChI=1S/C8H9N5O3/c14-6-7(15)11-13(8(16)10-6)5-4-12-3-1-2-9-12/h1-3H,4-5H2,(H,11,15)(H,10,14,16)
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n/an/a 330n/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))		BDBM50117829
PNG
(CHEMBL3613948 | US9505753, 10a)
Show SMILES Oc1nn(CC(F)(F)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H9F2N3O3/c12-11(13,7-4-2-1-3-5-7)6-16-10(19)14-8(17)9(18)15-16/h1-5H,6H2,(H,15,18)(H,14,17,19)
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n/an/a 400n/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))		BDBM50117826
PNG
(CHEMBL3613925 | US9505753, 10f)
Show SMILES Oc1nn(CCn2cnc3ccccc23)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H11N5O3/c18-10-11(19)15-17(12(20)14-10)6-5-16-7-13-8-3-1-2-4-9(8)16/h1-4,7H,5-6H2,(H,15,19)(H,14,18,20)
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n/an/a 440n/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))		BDBM50117825
PNG
(CHEMBL3613950 | US9505753, 21)
Show SMILES OC(Cn1nc(O)c(=O)[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C11H11N3O4/c15-8(7-4-2-1-3-5-7)6-14-11(18)12-9(16)10(17)13-14/h1-5,8,15H,6H2,(H,13,17)(H,12,16,18)
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n/an/a 470n/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))		BDBM50117810
PNG
(CHEMBL3613923 | US9505753, 10l)
Show SMILES Oc1nn(CCc2ccccn2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H10N4O3/c15-8-9(16)13-14(10(17)12-8)6-4-7-3-1-2-5-11-7/h1-3,5H,4,6H2,(H,13,16)(H,12,15,17)
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n/an/a 760n/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))		BDBM50117823
PNG
(CHEMBL3613949 | US9505753, 20)
Show SMILES Oc1nn(CC(=O)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H9N3O4/c15-8(7-4-2-1-3-5-7)6-14-11(18)12-9(16)10(17)13-14/h1-5H,6H2,(H,13,17)(H,12,16,18)
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n/an/a 850n/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))		BDBM50117766
PNG
(CHEMBL3613919 | US9505753, 5s)
Show SMILES Oc1nn(CCCc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H13N3O3/c16-10-11(17)14-15(12(18)13-10)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,14,17)(H,13,16,18)
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n/an/a 1.70E+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))		BDBM50117758
PNG
(CHEMBL3613913 | US9505753, 5p)
Show SMILES Cn1nc(O)c(=O)[nH]c1=O
Show InChI InChI=1S/C4H5N3O3/c1-7-4(10)5-2(8)3(9)6-7/h1H3,(H,6,9)(H,5,8,10)
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n/an/a 2.80E+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))		BDBM50117758
PNG
(CHEMBL3613913 | US9505753, 5p)
Show SMILES Cn1nc(O)c(=O)[nH]c1=O
Show InChI InChI=1S/C4H5N3O3/c1-7-4(10)5-2(8)3(9)6-7/h1H3,(H,6,9)(H,5,8,10)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of DAAO (unknown origin)

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))		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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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))		BDBM50117770
PNG
(CHEMBL3613917 | US9505753, 5t)
Show SMILES Oc1nn(Cc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H9N3O3/c14-8-9(15)12-13(10(16)11-8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,12,15)(H,11,14,16)
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n/an/a 5.10E+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))		BDBM50103601
PNG
(CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of DAAO (unknown origin)

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))		BDBM50117807
PNG
(CHEMBL3613915 | US9505753, 5r)
Show SMILES CC(C)(C)CCn1nc(O)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H15N3O3/c1-9(2,3)4-5-12-8(15)10-6(13)7(14)11-12/h4-5H2,1-3H3,(H,11,14)(H,10,13,15)
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n/an/a 4.00E+4n/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))		BDBM50117768
PNG
(CHEMBL3613916)
Show SMILES Oc1nn(-c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H7N3O3/c13-7-8(14)11-12(9(15)10-7)6-4-2-1-3-5-6/h1-5H,(H,11,14)(H,10,13,15)
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n/an/a>1.00E+5n/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
* indicates data uncertainty>20%