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BDBM50064266 CHEMBL43719::HEPTYLFORMAMIDE::N-Heptyl-formamide

SMILES: CCCCCCCNC=O

InChI Key: InChIKey=YAUHDTOEJHVKJO-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 = 50064266   
Target
(Institution)
LigandTarget
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)
BDBM50064266
PNG
(CHEMBL43719 | HEPTYLFORMAMIDE | N-Heptyl-formamide)
Show SMILES CCCCCCCNC=O
Show InChI InChI=1S/C8H17NO/c1-2-3-4-5-6-7-9-8-10/h8H,2-7H2,1H3,(H,9,10)
PDB
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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


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


(Homo sapiens)
BDBM50064266
PNG
(CHEMBL43719 | HEPTYLFORMAMIDE | N-Heptyl-formamide)
Show SMILES CCCCCCCNC=O
Show InChI InChI=1S/C8H17NO/c1-2-3-4-5-6-7-9-8-10/h8H,2-7H2,1H3,(H,9,10)
PDB
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740n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human alcohol dehydrogenase sigma activity


Citation and Details
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Homo sapiens)
BDBM50064266
PNG
(CHEMBL43719 | HEPTYLFORMAMIDE | N-Heptyl-formamide)
Show SMILES CCCCCCCNC=O
Show InChI InChI=1S/C8H17NO/c1-2-3-4-5-6-7-9-8-10/h8H,2-7H2,1H3,(H,9,10)
PDB
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PubMed
3.60E+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


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


(Homo sapiens)
BDBM50064266
PNG
(CHEMBL43719 | HEPTYLFORMAMIDE | N-Heptyl-formamide)
Show SMILES CCCCCCCNC=O
Show InChI InChI=1S/C8H17NO/c1-2-3-4-5-6-7-9-8-10/h8H,2-7H2,1H3,(H,9,10)
PDB
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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 pi activity


Citation and Details
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Homo sapiens)
BDBM50064266
PNG
(CHEMBL43719 | HEPTYLFORMAMIDE | N-Heptyl-formamide)
Show SMILES CCCCCCCNC=O
Show InChI InChI=1S/C8H17NO/c1-2-3-4-5-6-7-9-8-10/h8H,2-7H2,1H3,(H,9,10)
PDB
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PubMed
1.20E+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


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