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4 similar compounds to monomer 86770

Wt: 404.5
BDBM86768
Wt: 418.5
BDBM86769
Wt: 473.6
BDBM86771
Wt: 430.5
BDBM50345207

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 86768,86769,86771,50345207   
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
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

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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
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

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UniChem

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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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM86771
PNG
(Nicotinamide hydrochloride analog, 6d)
Show SMILES NNc1ccc(cc1)C(=O)NCCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C29H39N5O/c30-34-23-18-16-22(17-19-23)29(35)32-21-11-5-3-1-2-4-10-20-31-28-24-12-6-8-14-26(24)33-27-15-9-7-13-25(27)28/h6,8,12,14,16-19,34H,1-5,7,9-11,13,15,20-21,30H2,(H,31,33)(H,32,35)
UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 0.000370n/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
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50345207
PNG
(CHEMBL1783243 | N-(8-(1,2,3,4-tetrahydroacridin-9-...)
Show SMILES O=C(NCCCCCCCCNc1c2CCCCc2nc2ccccc12)c1ccncc1
Show InChI InChI=1S/C27H34N4O/c32-27(21-15-19-28-20-16-21)30-18-10-4-2-1-3-9-17-29-26-22-11-5-7-13-24(22)31-25-14-8-6-12-23(25)26/h5,7,11,13,15-16,19-20H,1-4,6,8-10,12,14,17-18H2,(H,29,31)(H,30,32)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 38.7n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as inhibition of butylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addi...


Eur J Med Chem 46: 2609-16 (2011)

More data for this
Ligand-Target Pair
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
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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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM86771
PNG
(Nicotinamide hydrochloride analog, 6d)
Show SMILES NNc1ccc(cc1)C(=O)NCCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C29H39N5O/c30-34-23-18-16-22(17-19-23)29(35)32-21-11-5-3-1-2-4-10-20-31-28-24-12-6-8-14-26(24)33-27-15-9-7-13-25(27)28/h6,8,12,14,16-19,34H,1-5,7,9-11,13,15,20-21,30H2,(H,31,33)(H,32,35)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 8.11E-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))
BDBM50345207
PNG
(CHEMBL1783243 | N-(8-(1,2,3,4-tetrahydroacridin-9-...)
Show SMILES O=C(NCCCCCCCCNc1c2CCCCc2nc2ccccc12)c1ccncc1
Show InChI InChI=1S/C27H34N4O/c32-27(21-15-19-28-20-16-21)30-18-10-4-2-1-3-9-17-29-26-22-11-5-7-13-24(22)31-25-14-8-6-12-23(25)26/h5,7,11,13,15-16,19-20H,1-4,6,8-10,12,14,17-18H2,(H,29,31)(H,30,32)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 38.5n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE assessed as inhibition of acetylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addi...


Eur J Med Chem 46: 2609-16 (2011)

More data for this
Ligand-Target Pair
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