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BDBM86770 Nicotinamide hydrochloride analog, 6c

InChI string: InChI=1S/C26H34N6O/c27-32-24-15-14-19(18-30-24)26(33)29-17-9-3-1-2-8-16-28-25-20-10-4-6-12-22(20)31-23-13-7-5-11-21(23)25/h4,6,10,12,14-15,18H,1-3,5,7-9,11,13,16-17,27H2,(H,28,31)(H,29,33)(H,30,32)

SMILES: NNc1ccc(cn1)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12

InChI Key: InChIKey=LHRBRGFLZXACAQ-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 86770   
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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM86770
PNG
(Nicotinamide hydrochloride analog, 6c)
Show SMILES NNc1ccc(cn1)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C26H34N6O/c27-32-24-15-14-19(18-30-24)26(33)29-17-9-3-1-2-8-16-28-25-20-10-4-6-12-22(20)31-23-13-7-5-11-21(23)25/h4,6,10,12,14-15,18H,1-3,5,7-9,11,13,16-17,27H2,(H,28,31)(H,29,33)(H,30,32)
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.00000113n/an/an/an/an/an/a



Medical University of Lodz



Assay Description
Enzyme activity using acetylcholinesterase (AChE) and butyrylcholinesterase (BChE).


Bioorg Chem 39: 138-42 (2011)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM86770
PNG
(Nicotinamide hydrochloride analog, 6c)
Show SMILES NNc1ccc(cn1)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C26H34N6O/c27-32-24-15-14-19(18-30-24)26(33)29-17-9-3-1-2-8-16-28-25-20-10-4-6-12-22(20)31-23-13-7-5-11-21(23)25/h4,6,10,12,14-15,18H,1-3,5,7-9,11,13,16-17,27H2,(H,28,31)(H,29,33)(H,30,32)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.000721n/an/an/an/an/an/a



Medical University of Lodz



Assay Description
Enzyme activity using acetylcholinesterase (AChE) and butyrylcholinesterase (BChE).


Bioorg Chem 39: 138-42 (2011)

More data for this
Ligand-Target Pair