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BDBM50064286 CHEMBL45844::CYCLOBUTYL(CYCLOPENTYL)FORMAMIDE::N-Cyclobutyl-N-cyclopentyl-formamide

SMILES: O=CN(C1CCC1)C1CCCC1

InChI Key: InChIKey=DWGVYBRKKSJLNS-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 = 50064286   
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)
BDBM50064286
PNG
(CHEMBL45844 | CYCLOBUTYL(CYCLOPENTYL)FORMAMIDE | N...)
Show SMILES O=CN(C1CCC1)C1CCCC1
Show InChI InChI=1S/C10H17NO/c12-8-11(10-6-3-7-10)9-4-1-2-5-9/h8-10H,1-7H2
PDB
MMDB

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PC sid
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PDB
Article
PubMed
360n/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)
BDBM50064286
PNG
(CHEMBL45844 | CYCLOBUTYL(CYCLOPENTYL)FORMAMIDE | N...)
Show SMILES O=CN(C1CCC1)C1CCCC1
Show InChI InChI=1S/C10H17NO/c12-8-11(10-6-3-7-10)9-4-1-2-5-9/h8-10H,1-7H2
PDB
MMDB

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PC sid
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Article
PubMed
4.70E+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)
Alcohol dehydrogenase


(Homo sapiens)
BDBM50064286
PNG
(CHEMBL45844 | CYCLOBUTYL(CYCLOPENTYL)FORMAMIDE | N...)
Show SMILES O=CN(C1CCC1)C1CCCC1
Show InChI InChI=1S/C10H17NO/c12-8-11(10-6-3-7-10)9-4-1-2-5-9/h8-10H,1-7H2
PDB
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Article
PubMed
3.60E+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


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


(Homo sapiens)
BDBM50064286
PNG
(CHEMBL45844 | CYCLOBUTYL(CYCLOPENTYL)FORMAMIDE | N...)
Show SMILES O=CN(C1CCC1)C1CCCC1
Show InChI InChI=1S/C10H17NO/c12-8-11(10-6-3-7-10)9-4-1-2-5-9/h8-10H,1-7H2
PDB
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Article
PubMed
1.10E+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


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


(Homo sapiens)
BDBM50064286
PNG
(CHEMBL45844 | CYCLOBUTYL(CYCLOPENTYL)FORMAMIDE | N...)
Show SMILES O=CN(C1CCC1)C1CCCC1
Show InChI InChI=1S/C10H17NO/c12-8-11(10-6-3-7-10)9-4-1-2-5-9/h8-10H,1-7H2
PDB
MMDB

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PC sid
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PDB
Article
PubMed
1.00E+7n/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)