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5 similar compounds to monomer 50448795

Wt: 353.3
BDBM50448796
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Wt: 353.3
BDBM50448797
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Wt: 353.3
BDBM50448798
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Wt: 335.3
BDBM50448799
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Wt: 259.3
BDBM50448800
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50448796,50448797,50448798,50448799,50448800   
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
Aldehyde dehydrogenase 3A1 (ALDH3A1)


(Homo sapiens (Human))
BDBM50448796
PNG
(CHEMBL3128214)
Show SMILES Fc1cccc(CN2CCN(CN3C(=O)C(=O)c4ccccc34)CC2)c1
Show InChI InChI=1S/C20H20FN3O2/c21-16-5-3-4-15(12-16)13-22-8-10-23(11-9-22)14-24-18-7-2-1-6-17(18)19(25)20(24)26/h1-7,12H,8-11,13-14H2
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n/an/a 1.90E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of full length human ALDH3A1 expressed in Escherichia coli BL21 (DE3) using benzaldehyde as substrate preincubated for 2 mins followed by ...


J Med Chem 57: 714-22 (2014)

More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 3A1 (ALDH3A1)


(Homo sapiens (Human))
BDBM50448797
PNG
(CHEMBL3128213)
Show SMILES Fc1ccc(CN2CCN(CN3C(=O)C(=O)c4ccccc34)CC2)cc1
Show InChI InChI=1S/C20H20FN3O2/c21-16-7-5-15(6-8-16)13-22-9-11-23(12-10-22)14-24-18-4-2-1-3-17(18)19(25)20(24)26/h1-8H,9-14H2
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n/an/a 1.50E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of full length human ALDH3A1 expressed in Escherichia coli BL21 (DE3) using benzaldehyde as substrate preincubated for 2 mins followed by ...


J Med Chem 57: 714-22 (2014)

More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 3A1 (ALDH3A1)


(Homo sapiens (Human))
BDBM50448798
PNG
(CHEMBL3128217)
Show SMILES Fc1ccccc1CN1CCN(CN2C(=O)C(=O)c3ccccc23)CC1
Show InChI InChI=1S/C20H20FN3O2/c21-17-7-3-1-5-15(17)13-22-9-11-23(12-10-22)14-24-18-8-4-2-6-16(18)19(25)20(24)26/h1-8H,9-14H2
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n/an/a 1.80E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of full length human ALDH3A1 expressed in Escherichia coli BL21 (DE3) using benzaldehyde as substrate preincubated for 2 mins followed by ...


J Med Chem 57: 714-22 (2014)

More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 3A1 (ALDH3A1)


(Homo sapiens (Human))
BDBM50448799
PNG
(CHEMBL3128204)
Show SMILES O=C1N(CN2CCN(Cc3ccccc3)CC2)c2ccccc2C1=O
Show InChI InChI=1S/C20H21N3O2/c24-19-17-8-4-5-9-18(17)23(20(19)25)15-22-12-10-21(11-13-22)14-16-6-2-1-3-7-16/h1-9H,10-15H2
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n/an/a 930n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of full length human ALDH3A1 expressed in Escherichia coli BL21 (DE3) using benzaldehyde as substrate preincubated for 2 mins followed by ...


J Med Chem 57: 714-22 (2014)

More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 3A1 (ALDH3A1)


(Homo sapiens (Human))
BDBM50448800
PNG
(CHEMBL467080)
Show SMILES CN1CCN(CN2C(=O)C(=O)c3ccccc23)CC1
Show InChI InChI=1S/C14H17N3O2/c1-15-6-8-16(9-7-15)10-17-12-5-3-2-4-11(12)13(18)14(17)19/h2-5H,6-10H2,1H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of full length human ALDH3A1 expressed in Escherichia coli BL21 (DE3) using benzaldehyde as substrate preincubated for 2 mins followed by ...


J Med Chem 57: 714-22 (2014)

More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1 (ALDH1A1)


(Homo sapiens (Human))
BDBM50448800
PNG
(CHEMBL467080)
Show SMILES CN1CCN(CN2C(=O)C(=O)c3ccccc23)CC1
Show InChI InChI=1S/C14H17N3O2/c1-15-6-8-16(9-7-15)10-17-12-5-3-2-4-11(12)13(18)14(17)19/h2-5H,6-10H2,1H3
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n/an/a 3.50E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human ALDH1A1 using propionaldehyde as substrate preincubated for 2 mins followed by substrate addition by spectrophotometry in presenc...


J Med Chem 57: 714-22 (2014)

More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50448800
PNG
(CHEMBL467080)
Show SMILES CN1CCN(CN2C(=O)C(=O)c3ccccc23)CC1
Show InChI InChI=1S/C14H17N3O2/c1-15-6-8-16(9-7-15)10-17-12-5-3-2-4-11(12)13(18)14(17)19/h2-5H,6-10H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human ALDH2 using propionaldehyde as substrate preincubated for 2 mins followed by substrate addition by spectrophotometry in presence ...


J Med Chem 57: 714-22 (2014)

More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1 (ALDH1A1)


(Homo sapiens (Human))
BDBM50448796
PNG
(CHEMBL3128214)
Show SMILES Fc1cccc(CN2CCN(CN3C(=O)C(=O)c4ccccc34)CC2)c1
Show InChI InChI=1S/C20H20FN3O2/c21-16-5-3-4-15(12-16)13-22-8-10-23(11-9-22)14-24-18-7-2-1-6-17(18)19(25)20(24)26/h1-7,12H,8-11,13-14H2
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n/an/a 3.50E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human ALDH1A1 using propionaldehyde as substrate preincubated for 2 mins followed by substrate addition by spectrophotometry in presenc...


J Med Chem 57: 714-22 (2014)

More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1 (ALDH1A1)


(Homo sapiens (Human))
BDBM50448797
PNG
(CHEMBL3128213)
Show SMILES Fc1ccc(CN2CCN(CN3C(=O)C(=O)c4ccccc34)CC2)cc1
Show InChI InChI=1S/C20H20FN3O2/c21-16-7-5-15(6-8-16)13-22-9-11-23(12-10-22)14-24-18-4-2-1-3-17(18)19(25)20(24)26/h1-8H,9-14H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human ALDH1A1 using propionaldehyde as substrate preincubated for 2 mins followed by substrate addition by spectrophotometry in presenc...


J Med Chem 57: 714-22 (2014)

More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1 (ALDH1A1)


(Homo sapiens (Human))
BDBM50448798
PNG
(CHEMBL3128217)
Show SMILES Fc1ccccc1CN1CCN(CN2C(=O)C(=O)c3ccccc23)CC1
Show InChI InChI=1S/C20H20FN3O2/c21-17-7-3-1-5-15(17)13-22-9-11-23(12-10-22)14-24-18-8-4-2-6-16(18)19(25)20(24)26/h1-8H,9-14H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human ALDH1A1 using propionaldehyde as substrate preincubated for 2 mins followed by substrate addition by spectrophotometry in presenc...


J Med Chem 57: 714-22 (2014)

More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1 (ALDH1A1)


(Homo sapiens (Human))
BDBM50448799
PNG
(CHEMBL3128204)
Show SMILES O=C1N(CN2CCN(Cc3ccccc3)CC2)c2ccccc2C1=O
Show InChI InChI=1S/C20H21N3O2/c24-19-17-8-4-5-9-18(17)23(20(19)25)15-22-12-10-21(11-13-22)14-16-6-2-1-3-7-16/h1-9H,10-15H2
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n/an/a 5.00E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human ALDH1A1 using propionaldehyde as substrate preincubated for 2 mins followed by substrate addition by spectrophotometry in presenc...


J Med Chem 57: 714-22 (2014)

More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50448799
PNG
(CHEMBL3128204)
Show SMILES O=C1N(CN2CCN(Cc3ccccc3)CC2)c2ccccc2C1=O
Show InChI InChI=1S/C20H21N3O2/c24-19-17-8-4-5-9-18(17)23(20(19)25)15-22-12-10-21(11-13-22)14-16-6-2-1-3-7-16/h1-9H,10-15H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human ALDH2 using propionaldehyde as substrate preincubated for 2 mins followed by substrate addition by spectrophotometry in presence ...


J Med Chem 57: 714-22 (2014)

More data for this
Ligand-Target Pair