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7 similar compounds to monomer 107727

Compile data set for download or QSAR
Wt: 272.3
BDBM107728
Wt: 258.2
BDBM107746
Wt: 342.2
BDBM107723
Wt: 308.3
BDBM107724
Wt: 308.3
BDBM107725
Wt: 288.3
BDBM107726
Wt: 288.3
BDBM107731

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 107728,107746,107723,107724,107725,107726,107731   
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))
BDBM107746
PNG
(CHEMBL2347107 | US8933095, 1)
Show SMILES N[C@H]1Cc2cn(Cc3ccccc3)nc2N(O)C1=O
Show InChI InChI=1S/C13H14N4O2/c14-11-6-10-8-16(7-9-4-2-1-3-5-9)15-12(10)17(19)13(11)18/h1-5,8,11,19H,6-7,14H2/t11-/m0/s1
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PubMed
23n/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))
BDBM107724
PNG
(US8933095, 8)
Show SMILES N[C@H]1Cc2cn(Cc3cccc4ccccc34)nc2N(O)C1=O
Show InChI InChI=1S/C17H16N4O2/c18-15-8-13-10-20(19-16(13)21(23)17(15)22)9-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,10,15,23H,8-9,18H2/t15-/m0/s1
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n/an/a 36n/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))
BDBM107725
PNG
(US8933095, 9)
Show SMILES N[C@H]1Cc2cn(Cc3ccc4ccccc4c3)nc2N(O)C1=O
Show InChI InChI=1S/C17H16N4O2/c18-15-8-14-10-20(19-16(14)21(23)17(15)22)9-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,10,15,23H,8-9,18H2/t15-/m0/s1
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n/an/a 117n/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))
BDBM107726
PNG
(US8933095, 10)
Show SMILES COc1ccccc1Cn1cc2C[C@H](N)C(=O)N(O)c2n1
Show InChI InChI=1S/C14H16N4O3/c1-21-12-5-3-2-4-9(12)7-17-8-10-6-11(15)14(19)18(20)13(10)16-17/h2-5,8,11,20H,6-7,15H2,1H3/t11-/m0/s1
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n/an/a 50.2n/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))
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
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM107731
PNG
(US8933095, 15)
Show SMILES COc1ccc(Cn2cc3C[C@H](N)C(=O)N(O)c3n2)cc1
Show InChI InChI=1S/C14H16N4O3/c1-21-11-4-2-9(3-5-11)7-17-8-10-6-12(15)14(19)18(20)13(10)16-17/h2-5,8,12,20H,6-7,15H2,1H3/t12-/m0/s1
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n/an/a 28.3n/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))
BDBM107746
PNG
(CHEMBL2347107 | US8933095, 1)
Show SMILES N[C@H]1Cc2cn(Cc3ccccc3)nc2N(O)C1=O
Show InChI InChI=1S/C13H14N4O2/c14-11-6-10-8-16(7-9-4-2-1-3-5-9)15-12(10)17(19)13(11)18/h1-5,8,11,19H,6-7,14H2/t11-/m0/s1
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n/an/a 59.4n/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))
BDBM107723
PNG
(US8933095, 6)
Show SMILES N[C@H]1Cc2cn(Cc3ccc(OC(F)(F)F)cc3)nc2N(O)C1=O
Show InChI InChI=1S/C14H13F3N4O3/c15-14(16,17)24-10-3-1-8(2-4-10)6-20-7-9-5-11(18)13(22)21(23)12(9)19-20/h1-4,7,11,23H,5-6,18H2/t11-/m0/s1
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n/an/a 43.6n/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))
BDBM107724
PNG
(US8933095, 8)
Show SMILES N[C@H]1Cc2cn(Cc3cccc4ccccc34)nc2N(O)C1=O
Show InChI InChI=1S/C17H16N4O2/c18-15-8-13-10-20(19-16(13)21(23)17(15)22)9-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,10,15,23H,8-9,18H2/t15-/m0/s1
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US Patent
n/an/a 36n/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))
BDBM107725
PNG
(US8933095, 9)
Show SMILES N[C@H]1Cc2cn(Cc3ccc4ccccc4c3)nc2N(O)C1=O
Show InChI InChI=1S/C17H16N4O2/c18-15-8-14-10-20(19-16(14)21(23)17(15)22)9-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,10,15,23H,8-9,18H2/t15-/m0/s1
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US Patent
n/an/a 117n/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))
BDBM107726
PNG
(US8933095, 10)
Show SMILES COc1ccccc1Cn1cc2C[C@H](N)C(=O)N(O)c2n1
Show InChI InChI=1S/C14H16N4O3/c1-21-12-5-3-2-4-9(12)7-17-8-10-6-11(15)14(19)18(20)13(10)16-17/h2-5,8,11,20H,6-7,15H2,1H3/t11-/m0/s1
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n/an/a 50.2n/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))
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))
BDBM107731
PNG
(US8933095, 15)
Show SMILES COc1ccc(Cn2cc3C[C@H](N)C(=O)N(O)c3n2)cc1
Show InChI InChI=1S/C14H16N4O3/c1-21-11-4-2-9(3-5-11)7-17-8-10-6-12(15)14(19)18(20)13(10)16-17/h2-5,8,12,20H,6-7,15H2,1H3/t12-/m0/s1
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US Patent
n/an/a 28.3n/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))
BDBM107746
PNG
(CHEMBL2347107 | US8933095, 1)
Show SMILES N[C@H]1Cc2cn(Cc3ccccc3)nc2N(O)C1=O
Show InChI InChI=1S/C13H14N4O2/c14-11-6-10-8-16(7-9-4-2-1-3-5-9)15-12(10)17(19)13(11)18/h1-5,8,11,19H,6-7,14H2/t11-/m0/s1
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n/an/a 47n/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))
BDBM107746
PNG
(CHEMBL2347107 | US8933095, 1)
Show SMILES N[C@H]1Cc2cn(Cc3ccccc3)nc2N(O)C1=O
Show InChI InChI=1S/C13H14N4O2/c14-11-6-10-8-16(7-9-4-2-1-3-5-9)15-12(10)17(19)13(11)18/h1-5,8,11,19H,6-7,14H2/t11-/m0/s1
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n/an/a 59.4n/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))
BDBM107723
PNG
(US8933095, 6)
Show SMILES N[C@H]1Cc2cn(Cc3ccc(OC(F)(F)F)cc3)nc2N(O)C1=O
Show InChI InChI=1S/C14H13F3N4O3/c15-14(16,17)24-10-3-1-8(2-4-10)6-20-7-9-5-11(18)13(22)21(23)12(9)19-20/h1-4,7,11,23H,5-6,18H2/t11-/m0/s1
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n/an/a 43.6n/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