Compile Data Set for Download or QSAR
Found 3 Enz. Inhib. hit(s) for PDB: 1U3T
TargetAlcohol dehydrogenase 1A(Homo sapiens (Human))
The University of Iowa

Curated by ChEMBL
LigandPNGBDBM50064286(CHEMBL45844 | CYCLOBUTYL(CYCLOPENTYL)FORMAMIDE | N...)
Show SMILES O=CN(C1CCC1)C1CCCC1
Show InChI InChI=1S/C10H17NO/c12-8-11(10-6-3-7-10)9-4-1-2-5-9/h8-10H,1-7H2
Affinity DataKi:  360nMAssay Description:Inhibition of human alcohol dehydrogenase alpha activityMore data for this Ligand-Target Pair
TargetAlcohol dehydrogenase 1C(Homo sapiens (Human))
The University of Iowa

Curated by ChEMBL
LigandPNGBDBM50064286(CHEMBL45844 | CYCLOBUTYL(CYCLOPENTYL)FORMAMIDE | N...)
Show SMILES O=CN(C1CCC1)C1CCCC1
Show InChI InChI=1S/C10H17NO/c12-8-11(10-6-3-7-10)9-4-1-2-5-9/h8-10H,1-7H2
Affinity DataKi:  4.70E+4nMAssay Description:Inhibition of human alcohol dehydrogenase gamma2 activityMore data for this Ligand-Target Pair
TargetAll-trans-retinol dehydrogenase [NAD(+)] ADH1B(Homo sapiens (Human))
The University of Iowa

Curated by ChEMBL
LigandPNGBDBM50064286(CHEMBL45844 | CYCLOBUTYL(CYCLOPENTYL)FORMAMIDE | N...)
Show SMILES O=CN(C1CCC1)C1CCCC1
Show InChI InChI=1S/C10H17NO/c12-8-11(10-6-3-7-10)9-4-1-2-5-9/h8-10H,1-7H2
Affinity DataKi:  1.00E+7nMAssay Description:Inhibition of human alcohol dehydrogenase beta 1 activityMore data for this Ligand-Target Pair