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PDB code 1U3U

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 3 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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

  (374/374 = 100%)
(Homo sapiens)
BDBM50064288
PNG
(CHEMBL46293 | N-(phenylmethyl)formamide | N-BENZYL...)
Show SMILES O=CNCc1ccccc1
Show InChI InChI=1S/C8H9NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,9,10)
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PubMed
330n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alcohol dehydrogenase

  (354/374 = 95%)
(Homo sapiens)
BDBM50064288
PNG
(CHEMBL46293 | N-(phenylmethyl)formamide | N-BENZYL...)
Show SMILES O=CNCc1ccccc1
Show InChI InChI=1S/C8H9NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,9,10)
PDB
MMDB

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CHEMBL
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PubMed
4.90E+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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alcohol dehydrogenase

  (350/374 = 94%)
(Homo sapiens)
BDBM50064288
PNG
(CHEMBL46293 | N-(phenylmethyl)formamide | N-BENZYL...)
Show SMILES O=CNCc1ccccc1
Show InChI InChI=1S/C8H9NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,9,10)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

AffyNet 
PDB
Article
PubMed
3.10E+4n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output