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Compile Data Set for Download or QSAR

Found 72 hits with Last Name = 'gowda' and Initial = 'r'   
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
Aldehyde dehydrogenase 1A1


(Homo sapiens (Human))
BDBM50555603
PNG
(CHEMBL4793869)
Show SMILES Br.NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cccc(Cl)c23)cc1
PDB
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n/an/a 177n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALDH1A1 (unknown origin) assessed as NADH formation using propionaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase, dimeric NADP-preferring


(Homo sapiens (Human))
BDBM50555608
PNG
(CHEMBL4745360)
Show SMILES Br.NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cc(Br)cc(Br)c23)cc1
PDB

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n/an/a 193n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALDH3A1 (unknown origin) assessed as NADH formation using 4-nitrobenzaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase, dimeric NADP-preferring


(Homo sapiens (Human))
BDBM50555610
PNG
(CHEMBL4754311)
Show SMILES Br.NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cc(F)cc(Br)c23)cc1
PDB

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TBA

Assay Description
Inhibition of ALDH3A1 (unknown origin) assessed as NADH formation using 4-nitrobenzaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase, dimeric NADP-preferring


(Homo sapiens (Human))
BDBM50555609
PNG
(CHEMBL4777582)
Show SMILES Br.NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cc(Cl)cc(Cl)c23)cc1
PDB

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TBA

Assay Description
Inhibition of ALDH3A1 (unknown origin) assessed as NADH formation using 4-nitrobenzaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Homo sapiens (Human))
BDBM50555608
PNG
(CHEMBL4745360)
Show SMILES Br.NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cc(Br)cc(Br)c23)cc1
PDB
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TBA

Assay Description
Inhibition of ALDH1A1 (unknown origin) assessed as NADH formation using propionaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase, dimeric NADP-preferring


(Homo sapiens (Human))
BDBM50555605
PNG
(CHEMBL4753971)
Show SMILES Br.NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cccc(F)c23)cc1
PDB

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TBA

Assay Description
Inhibition of ALDH3A1 (unknown origin) assessed as NADH formation using 4-nitrobenzaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase, dimeric NADP-preferring


(Homo sapiens (Human))
BDBM50555617
PNG
(CHEMBL4791741)
Show SMILES Br.[#7]-[#6](=[#7])[Se;v2][#6]-c1ccc(-[#6]-[#7]-2-[#6](=O)-[#6](=O)-c3cccc(F)c-23)cc1
PDB

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TBA

Assay Description
Inhibition of ALDH3A1 (unknown origin) assessed as NADH formation using 4-nitrobenzaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase, dimeric NADP-preferring


(Homo sapiens (Human))
BDBM50555607
PNG
(CHEMBL4755837)
Show SMILES Br.NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cccc(c23)C(F)(F)F)cc1
PDB

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TBA

Assay Description
Inhibition of ALDH3A1 (unknown origin) assessed as NADH formation using 4-nitrobenzaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase, dimeric NADP-preferring


(Homo sapiens (Human))
BDBM50555619
PNG
(CHEMBL4763602)
Show SMILES Br.[#7]-[#6](=[#7])[Se;v2][#6]-c1ccc(-[#6]-[#7]-2-[#6](=O)-[#6](=O)-c3cccc(c-23)C(F)(F)F)cc1
PDB

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TBA

Assay Description
Inhibition of ALDH3A1 (unknown origin) assessed as NADH formation using 4-nitrobenzaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Homo sapiens (Human))
BDBM50555607
PNG
(CHEMBL4755837)
Show SMILES Br.NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cccc(c23)C(F)(F)F)cc1
PDB
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TBA

Assay Description
Inhibition of ALDH1A1 (unknown origin) assessed as NADH formation using propionaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Homo sapiens (Human))
BDBM50555609
PNG
(CHEMBL4777582)
Show SMILES Br.NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cc(Cl)cc(Cl)c23)cc1
PDB
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TBA

Assay Description
Inhibition of ALDH1A1 (unknown origin) assessed as NADH formation using propionaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Homo sapiens (Human))
BDBM50555610
PNG
(CHEMBL4754311)
Show SMILES Br.NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cc(F)cc(Br)c23)cc1
PDB
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TBA

Assay Description
Inhibition of ALDH1A1 (unknown origin) assessed as NADH formation using propionaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase, dimeric NADP-preferring


(Homo sapiens (Human))
BDBM50555621
PNG
(CHEMBL4752256)
Show SMILES Br.[#7]-[#6](=[#7])[Se;v2][#6]-c1ccc(-[#6]-[#7]-2-[#6](=O)-[#6](=O)-c3cc(Cl)cc(Cl)c-23)cc1
PDB

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TBA

Assay Description
Inhibition of ALDH3A1 (unknown origin) assessed as NADH formation using 4-nitrobenzaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase, dimeric NADP-preferring


(Homo sapiens (Human))
BDBM50555620
PNG
(CHEMBL4796029)
Show SMILES Br.[#7]-[#6](=[#7])[Se;v2][#6]-c1ccc(-[#6]-[#7]-2-[#6](=O)-[#6](=O)-c3cc(Br)cc(Br)c-23)cc1
PDB

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TBA

Assay Description
Inhibition of ALDH3A1 (unknown origin) assessed as NADH formation using 4-nitrobenzaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Homo sapiens (Human))
BDBM50555612
PNG
(CHEMBL4755996)
Show SMILES Br.[#7]-[#6](=[#7])[Se;v2][#6]-c1ccc(-[#6]-[#7]-2-[#6](=O)-[#6](=O)-c3cc(Br)ccc-23)cc1
PDB
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TBA

Assay Description
Inhibition of ALDH1A1 (unknown origin) assessed as NADH formation using propionaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Homo sapiens (Human))
BDBM50555606
PNG
(CHEMBL4742685)
Show SMILES Br.NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cc(ccc23)C(F)(F)F)cc1
PDB
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TBA

Assay Description
Inhibition of ALDH1A1 (unknown origin) assessed as NADH formation using propionaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase, dimeric NADP-preferring


(Homo sapiens (Human))
BDBM50555612
PNG
(CHEMBL4755996)
Show SMILES Br.[#7]-[#6](=[#7])[Se;v2][#6]-c1ccc(-[#6]-[#7]-2-[#6](=O)-[#6](=O)-c3cc(Br)ccc-23)cc1
PDB

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TBA

Assay Description
Inhibition of ALDH3A1 (unknown origin) assessed as NADH formation using 4-nitrobenzaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase, dimeric NADP-preferring


(Homo sapiens (Human))
BDBM50555606
PNG
(CHEMBL4742685)
Show SMILES Br.NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cc(ccc23)C(F)(F)F)cc1
PDB

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n/an/a 360n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALDH3A1 (unknown origin) assessed as NADH formation using 4-nitrobenzaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Homo sapiens (Human))
BDBM50555613
PNG
(CHEMBL4740863)
Show SMILES Br.[#7]-[#6](=[#7])[Se;v2][#6]-c1ccc(-[#6]-[#7]-2-[#6](=O)-[#6](=O)-c3cccc(Br)c-23)cc1
PDB
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TBA

Assay Description
Inhibition of ALDH1A1 (unknown origin) assessed as NADH formation using propionaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase, dimeric NADP-preferring


(Homo sapiens (Human))
BDBM50555622
PNG
(CHEMBL4764389)
Show SMILES Br.[#7]-[#6](=[#7])[Se;v2][#6]-c1ccc(-[#6]-[#7]-2-[#6](=O)-[#6](=O)-c3cc(F)cc(Br)c-23)cc1
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TBA

Assay Description
Inhibition of ALDH3A1 (unknown origin) assessed as NADH formation using 4-nitrobenzaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Homo sapiens (Human))
BDBM50555621
PNG
(CHEMBL4752256)
Show SMILES Br.[#7]-[#6](=[#7])[Se;v2][#6]-c1ccc(-[#6]-[#7]-2-[#6](=O)-[#6](=O)-c3cc(Cl)cc(Cl)c-23)cc1
PDB
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n/an/a 384n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALDH1A1 (unknown origin) assessed as NADH formation using propionaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Homo sapiens (Human))
BDBM50555620
PNG
(CHEMBL4796029)
Show SMILES Br.[#7]-[#6](=[#7])[Se;v2][#6]-c1ccc(-[#6]-[#7]-2-[#6](=O)-[#6](=O)-c3cc(Br)cc(Br)c-23)cc1
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TBA

Assay Description
Inhibition of ALDH1A1 (unknown origin) assessed as NADH formation using propionaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Homo sapiens (Human))
BDBM50555622
PNG
(CHEMBL4764389)
Show SMILES Br.[#7]-[#6](=[#7])[Se;v2][#6]-c1ccc(-[#6]-[#7]-2-[#6](=O)-[#6](=O)-c3cc(F)cc(Br)c-23)cc1
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TBA

Assay Description
Inhibition of ALDH1A1 (unknown origin) assessed as NADH formation using propionaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Homo sapiens (Human))
BDBM50555605
PNG
(CHEMBL4753971)
Show SMILES Br.NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cccc(F)c23)cc1
PDB
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TBA

Assay Description
Inhibition of ALDH1A1 (unknown origin) assessed as NADH formation using propionaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Homo sapiens (Human))
BDBM50555619
PNG
(CHEMBL4763602)
Show SMILES Br.[#7]-[#6](=[#7])[Se;v2][#6]-c1ccc(-[#6]-[#7]-2-[#6](=O)-[#6](=O)-c3cccc(c-23)C(F)(F)F)cc1
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n/an/a 657n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALDH1A1 (unknown origin) assessed as NADH formation using propionaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial


(Homo sapiens (Human))
BDBM50555612
PNG
(CHEMBL4755996)
Show SMILES Br.[#7]-[#6](=[#7])[Se;v2][#6]-c1ccc(-[#6]-[#7]-2-[#6](=O)-[#6](=O)-c3cc(Br)ccc-23)cc1
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n/an/a 939n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALDH2 (unknown origin) assessed as NADH formation using acetaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Homo sapiens (Human))
BDBM50555617
PNG
(CHEMBL4791741)
Show SMILES Br.[#7]-[#6](=[#7])[Se;v2][#6]-c1ccc(-[#6]-[#7]-2-[#6](=O)-[#6](=O)-c3cccc(F)c-23)cc1
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n/an/a 1.05E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALDH1A1 (unknown origin) assessed as NADH formation using propionaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase, dimeric NADP-preferring


(Homo sapiens (Human))
BDBM50555618
PNG
(CHEMBL4781762)
Show SMILES Br.[#7]-[#6](=[#7])[Se;v2][#6]-c1ccc(-[#6]-[#7]-2-[#6](=O)-[#6](=O)-c3cc(ccc-23)C(F)(F)F)cc1
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n/an/a 1.52E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALDH3A1 (unknown origin) assessed as NADH formation using 4-nitrobenzaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial


(Homo sapiens (Human))
BDBM50555608
PNG
(CHEMBL4745360)
Show SMILES Br.NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cc(Br)cc(Br)c23)cc1
PDB
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n/an/a 1.54E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALDH2 (unknown origin) assessed as NADH formation using acetaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial


(Homo sapiens (Human))
BDBM50555609
PNG
(CHEMBL4777582)
Show SMILES Br.NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cc(Cl)cc(Cl)c23)cc1
PDB
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n/an/a 1.64E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALDH2 (unknown origin) assessed as NADH formation using acetaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Homo sapiens (Human))
BDBM50555601
PNG
(CHEMBL4787646)
Show SMILES Br.NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cccc(Br)c23)cc1
PDB
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n/an/a 1.71E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALDH1A1 (unknown origin) assessed as NADH formation using propionaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial


(Homo sapiens (Human))
BDBM50555610
PNG
(CHEMBL4754311)
Show SMILES Br.NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cc(F)cc(Br)c23)cc1
PDB
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n/an/a 1.78E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALDH2 (unknown origin) assessed as NADH formation using acetaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial


(Homo sapiens (Human))
BDBM50555607
PNG
(CHEMBL4755837)
Show SMILES Br.NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cccc(c23)C(F)(F)F)cc1
PDB
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n/an/a 1.78E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALDH2 (unknown origin) assessed as NADH formation using acetaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial


(Homo sapiens (Human))
BDBM50555621
PNG
(CHEMBL4752256)
Show SMILES Br.[#7]-[#6](=[#7])[Se;v2][#6]-c1ccc(-[#6]-[#7]-2-[#6](=O)-[#6](=O)-c3cc(Cl)cc(Cl)c-23)cc1
PDB
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n/an/a 1.81E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALDH2 (unknown origin) assessed as NADH formation using acetaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial


(Homo sapiens (Human))
BDBM50555622
PNG
(CHEMBL4764389)
Show SMILES Br.[#7]-[#6](=[#7])[Se;v2][#6]-c1ccc(-[#6]-[#7]-2-[#6](=O)-[#6](=O)-c3cc(F)cc(Br)c-23)cc1
PDB
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n/an/a 1.92E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALDH2 (unknown origin) assessed as NADH formation using acetaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial


(Homo sapiens (Human))
BDBM50555620
PNG
(CHEMBL4796029)
Show SMILES Br.[#7]-[#6](=[#7])[Se;v2][#6]-c1ccc(-[#6]-[#7]-2-[#6](=O)-[#6](=O)-c3cc(Br)cc(Br)c-23)cc1
PDB
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n/an/a 2.01E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALDH2 (unknown origin) assessed as NADH formation using acetaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial


(Homo sapiens (Human))
BDBM50555606
PNG
(CHEMBL4742685)
Show SMILES Br.NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cc(ccc23)C(F)(F)F)cc1
PDB
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n/an/a 2.14E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALDH2 (unknown origin) assessed as NADH formation using acetaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase, dimeric NADP-preferring


(Homo sapiens (Human))
BDBM50555616
PNG
(CHEMBL4793636)
Show SMILES Br.[#7]-[#6](=[#7])[Se;v2][#6]-c1ccc(-[#6]-[#7]-2-[#6](=O)-[#6](=O)-c3cc(F)ccc-23)cc1
PDB

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n/an/a 2.36E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALDH3A1 (unknown origin) assessed as NADH formation using 4-nitrobenzaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase, dimeric NADP-preferring


(Homo sapiens (Human))
BDBM50555614
PNG
(CHEMBL4757065)
Show SMILES Br.[#7]-[#6](=[#7])[Se;v2][#6]-c1ccc(-[#6]-[#7]-2-[#6](=O)-[#6](=O)-c3cc(Cl)ccc-23)cc1
PDB

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n/an/a 2.77E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALDH3A1 (unknown origin) assessed as NADH formation using 4-nitrobenzaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase, dimeric NADP-preferring


(Homo sapiens (Human))
BDBM50555604
PNG
(CHEMBL4798414)
Show SMILES Br.NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cc(F)ccc23)cc1
PDB

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n/an/a 2.86E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALDH3A1 (unknown origin) assessed as NADH formation using 4-nitrobenzaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase, dimeric NADP-preferring


(Homo sapiens (Human))
BDBM50555602
PNG
(CHEMBL4747569)
Show SMILES Br.NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cc(Cl)ccc23)cc1
PDB

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n/an/a 3.07E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALDH3A1 (unknown origin) assessed as NADH formation using 4-nitrobenzaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial


(Homo sapiens (Human))
BDBM50555619
PNG
(CHEMBL4763602)
Show SMILES Br.[#7]-[#6](=[#7])[Se;v2][#6]-c1ccc(-[#6]-[#7]-2-[#6](=O)-[#6](=O)-c3cccc(c-23)C(F)(F)F)cc1
PDB
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n/an/a 3.49E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALDH2 (unknown origin) assessed as NADH formation using acetaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase, dimeric NADP-preferring


(Homo sapiens (Human))
BDBM50555603
PNG
(CHEMBL4793869)
Show SMILES Br.NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cccc(Cl)c23)cc1
PDB

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n/an/a 3.59E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALDH3A1 (unknown origin) assessed as NADH formation using 4-nitrobenzaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase, dimeric NADP-preferring


(Homo sapiens (Human))
BDBM50555611
PNG
(CHEMBL4782820)
Show SMILES Br.[#7]-[#6](=[#7])[Se;v2][#6]-c1ccc(-[#6]-[#7]-2-[#6](=O)-[#6](=O)-c3ccccc-23)cc1
PDB

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n/an/a 4.01E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALDH3A1 (unknown origin) assessed as NADH formation using 4-nitrobenzaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase, dimeric NADP-preferring


(Homo sapiens (Human))
BDBM50555600
PNG
(CHEMBL4778505)
Show SMILES Br.NC(=N)SCc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1
PDB

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n/an/a 4.21E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALDH3A1 (unknown origin) assessed as NADH formation using 4-nitrobenzaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Homo sapiens (Human))
BDBM50555600
PNG
(CHEMBL4778505)
Show SMILES Br.NC(=N)SCc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1
PDB
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n/an/a 4.63E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALDH1A1 (unknown origin) assessed as NADH formation using propionaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase, dimeric NADP-preferring


(Homo sapiens (Human))
BDBM50555599
PNG
(CHEMBL4797385)
Show SMILES Br.NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cc(Br)ccc23)cc1
PDB

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n/an/a 4.88E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALDH3A1 (unknown origin) assessed as NADH formation using 4-nitrobenzaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Homo sapiens (Human))
BDBM50555616
PNG
(CHEMBL4793636)
Show SMILES Br.[#7]-[#6](=[#7])[Se;v2][#6]-c1ccc(-[#6]-[#7]-2-[#6](=O)-[#6](=O)-c3cc(F)ccc-23)cc1
PDB
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n/an/a 5.19E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALDH1A1 (unknown origin) assessed as NADH formation using propionaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Homo sapiens (Human))
BDBM50555604
PNG
(CHEMBL4798414)
Show SMILES Br.NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cc(F)ccc23)cc1
PDB
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n/an/a 5.22E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALDH1A1 (unknown origin) assessed as NADH formation using propionaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase, dimeric NADP-preferring


(Homo sapiens (Human))
BDBM50555601
PNG
(CHEMBL4787646)
Show SMILES Br.NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cccc(Br)c23)cc1
PDB

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n/an/a 6.32E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALDH3A1 (unknown origin) assessed as NADH formation using 4-nitrobenzaldehyde as substrate


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111962
BindingDB Entry DOI: 10.7270/Q2XS6023
More data for this
Ligand-Target Pair
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