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BDBM50064277 CHEMBL45705::N-Cyclohexyl-N-methyl-formamide

SMILES: CN(C=O)C1CCCCC1

InChI Key: InChIKey=AWIIFLDEDWAYGJ-UHFFFAOYSA-N

Data: 5 KI

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 = 50064277   
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 (Human))
BDBM50064277
PNG
(CHEMBL45705 | N-Cyclohexyl-N-methyl-formamide)
Show SMILES CN(C=O)C1CCCCC1
Show InChI InChI=1S/C8H15NO/c1-9(7-10)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
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Article
PubMed
5.50E+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
Alcohol dehydrogenase


(Homo sapiens (Human))
BDBM50064277
PNG
(CHEMBL45705 | N-Cyclohexyl-N-methyl-formamide)
Show SMILES CN(C=O)C1CCCCC1
Show InChI InChI=1S/C8H15NO/c1-9(7-10)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
PDB
MMDB

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Article
PubMed
4.00E+4n/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
Alcohol dehydrogenase


(Homo sapiens (Human))
BDBM50064277
PNG
(CHEMBL45705 | N-Cyclohexyl-N-methyl-formamide)
Show SMILES CN(C=O)C1CCCCC1
Show InChI InChI=1S/C8H15NO/c1-9(7-10)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
PDB
MMDB

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Article
PubMed
1.20E+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)


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


(Homo sapiens (Human))
BDBM50064277
PNG
(CHEMBL45705 | N-Cyclohexyl-N-methyl-formamide)
Show SMILES CN(C=O)C1CCCCC1
Show InChI InChI=1S/C8H15NO/c1-9(7-10)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
PDB
MMDB

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Article
PubMed
9.20E+5n/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
Alcohol dehydrogenase


(Homo sapiens (Human))
BDBM50064277
PNG
(CHEMBL45705 | N-Cyclohexyl-N-methyl-formamide)
Show SMILES CN(C=O)C1CCCCC1
Show InChI InChI=1S/C8H15NO/c1-9(7-10)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
PDB
MMDB

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PC cid
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Article
PubMed
4.90E+6n/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