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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Alcohol dehydrogenase' and Ligand = 'BDBM50064278'   
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
Alcohol dehydrogenase


(Homo sapiens (Human))
BDBM50064278
PNG
(CHEMBL46778 | N-Cyclohexylformamid | N-Zyklohexylf...)
Show SMILES O=CNC1CCCCC1
Show InChI InChI=1S/C7H13NO/c9-6-8-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,8,9)
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Article
PubMed
2.30E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human alcohol dehydrogenase alpha activity


J Med Chem 41: 1696-701 (1998)


Article DOI: 10.1021/jm9707380
BindingDB Entry DOI: 10.7270/Q2VM4BC5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alcohol dehydrogenase


(Homo sapiens (Human))
BDBM50064278
PNG
(CHEMBL46778 | N-Cyclohexylformamid | N-Zyklohexylf...)
Show SMILES O=CNC1CCCCC1
Show InChI InChI=1S/C7H13NO/c9-6-8-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,8,9)
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CHEBI
CHEMBL
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Article
PubMed
3.40E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human alcohol dehydrogenase beta 1 activity


J Med Chem 41: 1696-701 (1998)


Article DOI: 10.1021/jm9707380
BindingDB Entry DOI: 10.7270/Q2VM4BC5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alcohol dehydrogenase


(Homo sapiens (Human))
BDBM50064278
PNG
(CHEMBL46778 | N-Cyclohexylformamid | N-Zyklohexylf...)
Show SMILES O=CNC1CCCCC1
Show InChI InChI=1S/C7H13NO/c9-6-8-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,8,9)
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CHEBI
CHEMBL
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Article
PubMed
5.20E+3n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human alcohol dehydrogenase gamma2 activity


J Med Chem 41: 1696-701 (1998)


Article DOI: 10.1021/jm9707380
BindingDB Entry DOI: 10.7270/Q2VM4BC5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alcohol dehydrogenase


(Homo sapiens (Human))
BDBM50064278
PNG
(CHEMBL46778 | N-Cyclohexylformamid | N-Zyklohexylf...)
Show SMILES O=CNC1CCCCC1
Show InChI InChI=1S/C7H13NO/c9-6-8-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,8,9)
PDB
MMDB

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CHEBI
CHEMBL
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PC sid
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Article
PubMed
8.40E+4n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human alcohol dehydrogenase pi activity


J Med Chem 41: 1696-701 (1998)


Article DOI: 10.1021/jm9707380
BindingDB Entry DOI: 10.7270/Q2VM4BC5
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Homo sapiens (Human))
BDBM50064278
PNG
(CHEMBL46778 | N-Cyclohexylformamid | N-Zyklohexylf...)
Show SMILES O=CNC1CCCCC1
Show InChI InChI=1S/C7H13NO/c9-6-8-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,8,9)
PDB
MMDB

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CHEBI
CHEMBL
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KEGG
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PC cid
PC sid
PDB
UniChem

Patents


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Article
PubMed
3.80E+5n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human alcohol dehydrogenase sigma activity


J Med Chem 41: 1696-701 (1998)


Article DOI: 10.1021/jm9707380
BindingDB Entry DOI: 10.7270/Q2VM4BC5
More data for this
Ligand-Target Pair