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BDBM86768 Nicotinamide hydrochloride analog, 6a

SMILES: NNc1ccc(cn1)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12

InChI Key: InChIKey=XJGQYKNTCMVOOD-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 = 86768   
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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM86768
PNG
(Nicotinamide hydrochloride analog, 6a)
Show SMILES NNc1ccc(cn1)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C23H28N6O/c24-29-21-12-11-16(15-27-21)23(30)26-14-6-5-13-25-22-17-7-1-3-9-19(17)28-20-10-4-2-8-18(20)22/h1,3,7,9,11-12,15H,2,4-6,8,10,13-14,24H2,(H,25,28)(H,26,30)(H,27,29)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.00000145n/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))
BDBM86768
PNG
(Nicotinamide hydrochloride analog, 6a)
Show SMILES NNc1ccc(cn1)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C23H28N6O/c24-29-21-12-11-16(15-27-21)23(30)26-14-6-5-13-25-22-17-7-1-3-9-19(17)28-20-10-4-2-8-18(20)22/h1,3,7,9,11-12,15H,2,4-6,8,10,13-14,24H2,(H,25,28)(H,26,30)(H,27,29)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.000440n/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