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BDBM86769 Nicotinamide hydrochloride analog, 6b

SMILES: NNc1ccc(cn1)C(=O)NCCCCCNc1c2CCCCc2nc2ccccc12

InChI Key: InChIKey=OGHOWRIMPXHKCE-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 = 86769   
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))
BDBM86769
PNG
(Nicotinamide hydrochloride analog, 6b)
Show SMILES NNc1ccc(cn1)C(=O)NCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C24H30N6O/c25-30-22-13-12-17(16-28-22)24(31)27-15-7-1-6-14-26-23-18-8-2-4-10-20(18)29-21-11-5-3-9-19(21)23/h2,4,8,10,12-13,16H,1,3,5-7,9,11,14-15,25H2,(H,26,29)(H,27,31)(H,28,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.49E-7n/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))
BDBM86769
PNG
(Nicotinamide hydrochloride analog, 6b)
Show SMILES NNc1ccc(cn1)C(=O)NCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C24H30N6O/c25-30-22-13-12-17(16-28-22)24(31)27-15-7-1-6-14-26-23-18-8-2-4-10-20(18)29-21-11-5-3-9-19(21)23/h2,4,8,10,12-13,16H,1,3,5-7,9,11,14-15,25H2,(H,26,29)(H,27,31)(H,28,30)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.000308n/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