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BDBM50064274 CHEMBL48122::N-(1-Methyl-heptyl)-formamide

SMILES: CCCCCCC(C)NC=O

InChI Key: InChIKey=YWFHDUFNGSJLTL-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 = 50064274   
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)
BDBM50064274
PNG
(CHEMBL48122 | N-(1-Methyl-heptyl)-formamide)
Show SMILES CCCCCCC(C)NC=O
Show InChI InChI=1S/C9H19NO/c1-3-4-5-6-7-9(2)10-8-11/h8-9H,3-7H2,1-2H3,(H,10,11)
PDB
MMDB

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PC sid
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Article
PubMed
410n/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)
BDBM50064274
PNG
(CHEMBL48122 | N-(1-Methyl-heptyl)-formamide)
Show SMILES CCCCCCC(C)NC=O
Show InChI InChI=1S/C9H19NO/c1-3-4-5-6-7-9(2)10-8-11/h8-9H,3-7H2,1-2H3,(H,10,11)
PDB
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PC sid
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Article
PubMed
1.70E+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)

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


(Homo sapiens)
BDBM50064274
PNG
(CHEMBL48122 | N-(1-Methyl-heptyl)-formamide)
Show SMILES CCCCCCC(C)NC=O
Show InChI InChI=1S/C9H19NO/c1-3-4-5-6-7-9(2)10-8-11/h8-9H,3-7H2,1-2H3,(H,10,11)
PDB
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Article
PubMed
7.00E+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)

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


(Homo sapiens)
BDBM50064274
PNG
(CHEMBL48122 | N-(1-Methyl-heptyl)-formamide)
Show SMILES CCCCCCC(C)NC=O
Show InChI InChI=1S/C9H19NO/c1-3-4-5-6-7-9(2)10-8-11/h8-9H,3-7H2,1-2H3,(H,10,11)
PDB
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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 pi activity


J Med Chem 41: 1696-701 (1998)

More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Homo sapiens)
BDBM50064274
PNG
(CHEMBL48122 | N-(1-Methyl-heptyl)-formamide)
Show SMILES CCCCCCC(C)NC=O
Show InChI InChI=1S/C9H19NO/c1-3-4-5-6-7-9(2)10-8-11/h8-9H,3-7H2,1-2H3,(H,10,11)
PDB
MMDB

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PC sid
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Article
PubMed
1.00E+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)

More data for this
Ligand-Target Pair