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BDBM50064288 CHEMBL46293::N-(phenylmethyl)formamide::N-BENZYLFORMAMIDE::benzyl formamide

SMILES: O=CNCc1ccccc1

InChI Key: InChIKey=IIBOGKHTXBPGEI-UHFFFAOYSA-N

Data: 5 KI

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50064288   
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
Alcohol dehydrogenase


(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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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


(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
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CHEMBL
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KEGG
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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


(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
1.10E+4n/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)

More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(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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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)
Alcohol dehydrogenase


(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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Article
PubMed
1.10E+5n/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)

More data for this
Ligand-Target Pair