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SMILES: CN(CCCC(F)F)Cc1cccc(COc2ccc3c(C)c(C)c(=O)oc3c2)c1

InChI Key:

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 = 50585929   
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
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50585929
PNG
(CHEMBL5083737)
Show SMILES CN(CCCC(F)F)Cc1cccc(COc2ccc3c(C)c(C)c(=O)oc3c2)c1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant MAO-A expressed in supersomes assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate by...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01784
BindingDB Entry DOI: 10.7270/Q2BG2SWG
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50585929
PNG
(CHEMBL5083737)
Show SMILES CN(CCCC(F)F)Cc1cccc(COc2ccc3c(C)c(C)c(=O)oc3c2)c1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 560n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant MAO-B expressed in supersomes assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate by...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01784
BindingDB Entry DOI: 10.7270/Q2BG2SWG
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50585929
PNG
(CHEMBL5083737)
Show SMILES CN(CCCC(F)F)Cc1cccc(COc2ccc3c(C)c(C)c(=O)oc3c2)c1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant CYP3A4 expressed in baculosomes by fluorescent homogenous assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01784
BindingDB Entry DOI: 10.7270/Q2BG2SWG
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50585929
PNG
(CHEMBL5083737)
Show SMILES CN(CCCC(F)F)Cc1cccc(COc2ccc3c(C)c(C)c(=O)oc3c2)c1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of horse serum BChE by Ellman's spectrophotometric assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01784
BindingDB Entry DOI: 10.7270/Q2BG2SWG
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50585929
PNG
(CHEMBL5083737)
Show SMILES CN(CCCC(F)F)Cc1cccc(COc2ccc3c(C)c(C)c(=O)oc3c2)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant AChE by Ellman's spectrophotometric assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01784
BindingDB Entry DOI: 10.7270/Q2BG2SWG
More data for this
Ligand-Target Pair