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10 similar compounds to monomer 107721

Compile data set for download or QSAR
Wt: 272.3
BDBM107720
Wt: 272.3
BDBM107728
Wt: 302.3
BDBM107737
Wt: 302.3
BDBM107738
Wt: 286.3
BDBM107739
Wt: 300.3
BDBM107740
Wt: 340.3
BDBM107741
Wt: 340.3
BDBM107742
Wt: 340.3
BDBM107743
Wt: 272.3
BDBM142233

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 107720,107728,107737,107738,107739,107740,107741,107742,107743,142233   
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
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM107738
PNG
(CHEMBL2347113 | US8933095, 22)
Show SMILES COc1cccc(Cc2nn(C)c3N(O)C(=O)[C@@H](N)Cc23)c1
Show InChI InChI=1S/C15H18N4O3/c1-18-14-11(8-12(16)15(20)19(14)21)13(17-18)7-9-4-3-5-10(6-9)22-2/h3-6,12,21H,7-8,16H2,1-2H3/t12-/m0/s1
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22n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KAT2 using L-kynurenine as substrate after 15 to 20 hrs by UV-visible spectra analysis


Bioorg Med Chem Lett 23: 1961-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.039
BindingDB Entry DOI: 10.7270/Q2N87C48
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM107720
PNG
(CHEMBL2347112 | US8598200, 2)
Show SMILES Cn1nc(Cc2ccccc2)c2C[C@H](N)C(=O)N(O)c12
Show InChI InChI=1S/C14H16N4O2/c1-17-13-10(8-11(15)14(19)18(13)20)12(16-17)7-9-5-3-2-4-6-9/h2-6,11,20H,7-8,15H2,1H3/t11-/m0/s1
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32n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KAT2 using L-kynurenine as substrate after 15 to 20 hrs by UV-visible spectra analysis


Bioorg Med Chem Lett 23: 1961-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.039
BindingDB Entry DOI: 10.7270/Q2N87C48
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM107738
PNG
(CHEMBL2347113 | US8933095, 22)
Show SMILES COc1cccc(Cc2nn(C)c3N(O)C(=O)[C@@H](N)Cc23)c1
Show InChI InChI=1S/C15H18N4O3/c1-18-14-11(8-12(16)15(20)19(14)21)13(17-18)7-9-4-3-5-10(6-9)22-2/h3-6,12,21H,7-8,16H2,1-2H3/t12-/m0/s1
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n/an/a 65.6n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Formation of kynurenic acid (KYNA) is indirectly assessed by a decrease in light absorbance at 370 nm (OD370) as the L-kynurenine (KYN) substrate is ...


US Patent US8598200 (2013)


BindingDB Entry DOI: 10.7270/Q2G73CBJ
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM107739
PNG
(US8933095, 23)
Show SMILES CCn1nc2N(O)C(=O)[C@@H](N)Cc2c1Cc1ccccc1
Show InChI InChI=1S/C15H18N4O2/c1-2-18-13(8-10-6-4-3-5-7-10)11-9-12(16)15(20)19(21)14(11)17-18/h3-7,12,21H,2,8-9,16H2,1H3/t12-/m0/s1
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n/an/a 24.3n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Formation of kynurenic acid (KYNA) is indirectly assessed by a decrease in light absorbance at 370 nm (OD370) as the L-kynurenine (KYN) substrate is ...


US Patent US8598200 (2013)


BindingDB Entry DOI: 10.7270/Q2G73CBJ
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM107740
PNG
(US8933095, 24)
Show SMILES CC(C)n1nc2N(O)C(=O)[C@@H](N)Cc2c1Cc1ccccc1
Show InChI InChI=1S/C16H20N4O2/c1-10(2)19-14(8-11-6-4-3-5-7-11)12-9-13(17)16(21)20(22)15(12)18-19/h3-7,10,13,22H,8-9,17H2,1-2H3/t13-/m0/s1
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n/an/a 63n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Formation of kynurenic acid (KYNA) is indirectly assessed by a decrease in light absorbance at 370 nm (OD370) as the L-kynurenine (KYN) substrate is ...


US Patent US8598200 (2013)


BindingDB Entry DOI: 10.7270/Q2G73CBJ
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM107741
PNG
(US8933095, 25)
Show SMILES Cn1nc2N(O)C(=O)[C@@H](N)Cc2c1Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H15F3N4O2/c1-21-12(6-8-3-2-4-9(5-8)15(16,17)18)10-7-11(19)14(23)22(24)13(10)20-21/h2-5,11,24H,6-7,19H2,1H3/t11-/m0/s1
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n/an/a 42.2n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Formation of kynurenic acid (KYNA) is indirectly assessed by a decrease in light absorbance at 370 nm (OD370) as the L-kynurenine (KYN) substrate is ...


US Patent US8598200 (2013)


BindingDB Entry DOI: 10.7270/Q2G73CBJ
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM107742
PNG
(US8933095, 26)
Show SMILES Cn1nc2N(O)C(=O)[C@@H](N)Cc2c1Cc1ccccc1C(F)(F)F
Show InChI InChI=1S/C15H15F3N4O2/c1-21-12(6-8-4-2-3-5-10(8)15(16,17)18)9-7-11(19)14(23)22(24)13(9)20-21/h2-5,11,24H,6-7,19H2,1H3/t11-/m0/s1
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n/an/a 40.7n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Formation of kynurenic acid (KYNA) is indirectly assessed by a decrease in light absorbance at 370 nm (OD370) as the L-kynurenine (KYN) substrate is ...


US Patent US8598200 (2013)


BindingDB Entry DOI: 10.7270/Q2G73CBJ
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM107743
PNG
(US8933095, 27)
Show SMILES Cn1nc2N(O)C(=O)[C@@H](N)Cc2c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H15F3N4O2/c1-21-12(6-8-2-4-9(5-3-8)15(16,17)18)10-7-11(19)14(23)22(24)13(10)20-21/h2-5,11,24H,6-7,19H2,1H3/t11-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Formation of kynurenic acid (KYNA) is indirectly assessed by a decrease in light absorbance at 370 nm (OD370) as the L-kynurenine (KYN) substrate is ...


US Patent US8598200 (2013)


BindingDB Entry DOI: 10.7270/Q2G73CBJ
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM142233
PNG
(US8933095, 2)
Show SMILES Cn1nc2N(O)C(=O)[C@H](N)Cc2c1Cc1ccccc1
Show InChI InChI=1S/C14H16N4O2/c1-17-12(7-9-5-3-2-4-6-9)10-8-11(15)14(19)18(20)13(10)16-17/h2-6,11,20H,7-8,15H2,1H3/t11-/m1/s1
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n/an/a 63.7n/an/an/an/an/a37



Pfizer Inc.

US Patent


Assay Description
Formation of kynurenic acid (KYNA) is indirectly assessed by a decrease in light absorbance at 370 nm (OD370) as the L-kynurenine (KYN) substrate is ...


US Patent US8933095 (2015)


BindingDB Entry DOI: 10.7270/Q2J9653C
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM107728
PNG
(US8933095, 12)
Show SMILES Cc1c2C[C@H](N)C(=O)N(O)c2nn1Cc1ccccc1
Show InChI InChI=1S/C14H16N4O2/c1-9-11-7-12(15)14(19)18(20)13(11)16-17(9)8-10-5-3-2-4-6-10/h2-6,12,20H,7-8,15H2,1H3/t12-/m0/s1
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n/an/a 81.6n/an/an/an/an/a37



Pfizer Inc.

US Patent


Assay Description
Formation of kynurenic acid (KYNA) is indirectly assessed by a decrease in light absorbance at 370 nm (OD370) as the L-kynurenine (KYN) substrate is ...


US Patent US8933095 (2015)


BindingDB Entry DOI: 10.7270/Q2J9653C
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM107737
PNG
(US8933095, 21)
Show SMILES COc1ccc(Cc2nn(C)c3N(O)C(=O)[C@@H](N)Cc23)cc1
Show InChI InChI=1S/C15H18N4O3/c1-18-14-11(8-12(16)15(20)19(14)21)13(17-18)7-9-3-5-10(22-2)6-4-9/h3-6,12,21H,7-8,16H2,1-2H3/t12-/m0/s1
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n/an/a 440n/an/an/an/an/a37



Pfizer Inc.

US Patent


Assay Description
Formation of kynurenic acid (KYNA) is indirectly assessed by a decrease in light absorbance at 370 nm (OD370) as the L-kynurenine (KYN) substrate is ...


US Patent US8933095 (2015)


BindingDB Entry DOI: 10.7270/Q2J9653C
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM107738
PNG
(CHEMBL2347113 | US8933095, 22)
Show SMILES COc1cccc(Cc2nn(C)c3N(O)C(=O)[C@@H](N)Cc23)c1
Show InChI InChI=1S/C15H18N4O3/c1-18-14-11(8-12(16)15(20)19(14)21)13(17-18)7-9-4-3-5-10(6-9)22-2/h3-6,12,21H,7-8,16H2,1-2H3/t12-/m0/s1
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n/an/a 65.6n/an/an/an/an/a37



Pfizer Inc.

US Patent


Assay Description
Formation of kynurenic acid (KYNA) is indirectly assessed by a decrease in light absorbance at 370 nm (OD370) as the L-kynurenine (KYN) substrate is ...


US Patent US8933095 (2015)


BindingDB Entry DOI: 10.7270/Q2J9653C
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM107739
PNG
(US8933095, 23)
Show SMILES CCn1nc2N(O)C(=O)[C@@H](N)Cc2c1Cc1ccccc1
Show InChI InChI=1S/C15H18N4O2/c1-2-18-13(8-10-6-4-3-5-7-10)11-9-12(16)15(20)19(21)14(11)17-18/h3-7,12,21H,2,8-9,16H2,1H3/t12-/m0/s1
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n/an/a 24.3n/an/an/an/an/a37



Pfizer Inc.

US Patent


Assay Description
Formation of kynurenic acid (KYNA) is indirectly assessed by a decrease in light absorbance at 370 nm (OD370) as the L-kynurenine (KYN) substrate is ...


US Patent US8933095 (2015)


BindingDB Entry DOI: 10.7270/Q2J9653C
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM107740
PNG
(US8933095, 24)
Show SMILES CC(C)n1nc2N(O)C(=O)[C@@H](N)Cc2c1Cc1ccccc1
Show InChI InChI=1S/C16H20N4O2/c1-10(2)19-14(8-11-6-4-3-5-7-11)12-9-13(17)16(21)20(22)15(12)18-19/h3-7,10,13,22H,8-9,17H2,1-2H3/t13-/m0/s1
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n/an/a 63n/an/an/an/an/a37



Pfizer Inc.

US Patent


Assay Description
Formation of kynurenic acid (KYNA) is indirectly assessed by a decrease in light absorbance at 370 nm (OD370) as the L-kynurenine (KYN) substrate is ...


US Patent US8933095 (2015)


BindingDB Entry DOI: 10.7270/Q2J9653C
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM107741
PNG
(US8933095, 25)
Show SMILES Cn1nc2N(O)C(=O)[C@@H](N)Cc2c1Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H15F3N4O2/c1-21-12(6-8-3-2-4-9(5-8)15(16,17)18)10-7-11(19)14(23)22(24)13(10)20-21/h2-5,11,24H,6-7,19H2,1H3/t11-/m0/s1
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n/an/a 42.2n/an/an/an/an/a37



Pfizer Inc.

US Patent


Assay Description
Formation of kynurenic acid (KYNA) is indirectly assessed by a decrease in light absorbance at 370 nm (OD370) as the L-kynurenine (KYN) substrate is ...


US Patent US8933095 (2015)


BindingDB Entry DOI: 10.7270/Q2J9653C
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM107742
PNG
(US8933095, 26)
Show SMILES Cn1nc2N(O)C(=O)[C@@H](N)Cc2c1Cc1ccccc1C(F)(F)F
Show InChI InChI=1S/C15H15F3N4O2/c1-21-12(6-8-4-2-3-5-10(8)15(16,17)18)9-7-11(19)14(23)22(24)13(9)20-21/h2-5,11,24H,6-7,19H2,1H3/t11-/m0/s1
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n/an/a 40.7n/an/an/an/an/a37



Pfizer Inc.

US Patent


Assay Description
Formation of kynurenic acid (KYNA) is indirectly assessed by a decrease in light absorbance at 370 nm (OD370) as the L-kynurenine (KYN) substrate is ...


US Patent US8933095 (2015)


BindingDB Entry DOI: 10.7270/Q2J9653C
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM107743
PNG
(US8933095, 27)
Show SMILES Cn1nc2N(O)C(=O)[C@@H](N)Cc2c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H15F3N4O2/c1-21-12(6-8-2-4-9(5-3-8)15(16,17)18)10-7-11(19)14(23)22(24)13(10)20-21/h2-5,11,24H,6-7,19H2,1H3/t11-/m0/s1
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n/an/a 37n/an/an/an/an/a37



Pfizer Inc.

US Patent


Assay Description
Formation of kynurenic acid (KYNA) is indirectly assessed by a decrease in light absorbance at 370 nm (OD370) as the L-kynurenine (KYN) substrate is ...


US Patent US8933095 (2015)


BindingDB Entry DOI: 10.7270/Q2J9653C
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM107738
PNG
(CHEMBL2347113 | US8933095, 22)
Show SMILES COc1cccc(Cc2nn(C)c3N(O)C(=O)[C@@H](N)Cc23)c1
Show InChI InChI=1S/C15H18N4O3/c1-18-14-11(8-12(16)15(20)19(14)21)13(17-18)7-9-4-3-5-10(6-9)22-2/h3-6,12,21H,7-8,16H2,1-2H3/t12-/m0/s1
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n/an/a 66n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KAT2 using L-kynurenine as substrate after 15 to 20 hrs by UV-visible spectra analysis


Bioorg Med Chem Lett 23: 1961-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.039
BindingDB Entry DOI: 10.7270/Q2N87C48
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM107720
PNG
(CHEMBL2347112 | US8598200, 2)
Show SMILES Cn1nc(Cc2ccccc2)c2C[C@H](N)C(=O)N(O)c12
Show InChI InChI=1S/C14H16N4O2/c1-17-13-10(8-11(15)14(19)18(13)20)12(16-17)7-9-5-3-2-4-6-9/h2-6,11,20H,7-8,15H2,1H3/t11-/m0/s1
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n/an/a 64n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KAT2 using L-kynurenine as substrate after 15 to 20 hrs by UV-visible spectra analysis


Bioorg Med Chem Lett 23: 1961-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.039
BindingDB Entry DOI: 10.7270/Q2N87C48
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM107737
PNG
(US8933095, 21)
Show SMILES COc1ccc(Cc2nn(C)c3N(O)C(=O)[C@@H](N)Cc23)cc1
Show InChI InChI=1S/C15H18N4O3/c1-18-14-11(8-12(16)15(20)19(14)21)13(17-18)7-9-3-5-10(22-2)6-4-9/h3-6,12,21H,7-8,16H2,1-2H3/t12-/m0/s1
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US Patent
n/an/a 440n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Formation of kynurenic acid (KYNA) is indirectly assessed by a decrease in light absorbance at 370 nm (OD370) as the L-kynurenine (KYN) substrate is ...


US Patent US8598200 (2013)


BindingDB Entry DOI: 10.7270/Q2G73CBJ
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM107720
PNG
(CHEMBL2347112 | US8598200, 2)
Show SMILES Cn1nc(Cc2ccccc2)c2C[C@H](N)C(=O)N(O)c12
Show InChI InChI=1S/C14H16N4O2/c1-17-13-10(8-11(15)14(19)18(13)20)12(16-17)7-9-5-3-2-4-6-9/h2-6,11,20H,7-8,15H2,1H3/t11-/m0/s1
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n/an/a 63.7n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Formation of kynurenic acid (KYNA) is indirectly assessed by a decrease in light absorbance at 370 nm (OD370) as the L-kynurenine (KYN) substrate is ...


US Patent US8598200 (2013)


BindingDB Entry DOI: 10.7270/Q2G73CBJ
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM107728
PNG
(US8933095, 12)
Show SMILES Cc1c2C[C@H](N)C(=O)N(O)c2nn1Cc1ccccc1
Show InChI InChI=1S/C14H16N4O2/c1-9-11-7-12(15)14(19)18(20)13(11)16-17(9)8-10-5-3-2-4-6-10/h2-6,12,20H,7-8,15H2,1H3/t12-/m0/s1
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n/an/a 81.6n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Formation of kynurenic acid (KYNA) is indirectly assessed by a decrease in light absorbance at 370 nm (OD370) as the L-kynurenine (KYN) substrate is ...


US Patent US8598200 (2013)


BindingDB Entry DOI: 10.7270/Q2G73CBJ
More data for this
Ligand-Target Pair