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BDBM50391207 CHEMBL2088785

SMILES: Nc1nc(NCCCC2CCN(Cc3ccccc3)CC2)c(cc1C#N)C#N

InChI Key: InChIKey=LQXBMNZBJKBXIZ-UHFFFAOYSA-N

Data: 2 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50391207   
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
Cholinesterases


(Homo sapiens (Human))
BDBM50391207
PNG
(CHEMBL2088785)
Show SMILES Nc1nc(NCCCC2CCN(Cc3ccccc3)CC2)c(cc1C#N)C#N
Show InChI InChI=1S/C22H26N6/c23-14-19-13-20(15-24)22(27-21(19)25)26-10-4-7-17-8-11-28(12-9-17)16-18-5-2-1-3-6-18/h1-3,5-6,13,17H,4,7-12,16H2,(H3,25,26,27)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.40n/an/an/an/an/an/a



Instituto de Qu£mica Org£nica General (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine as substrate by Ellman method


Eur J Med Chem 57: 296-301 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.030
BindingDB Entry DOI: 10.7270/Q2MP54CK
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50391207
PNG
(CHEMBL2088785)
Show SMILES Nc1nc(NCCCC2CCN(Cc3ccccc3)CC2)c(cc1C#N)C#N
Show InChI InChI=1S/C22H26N6/c23-14-19-13-20(15-24)22(27-21(19)25)26-10-4-7-17-8-11-28(12-9-17)16-18-5-2-1-3-6-18/h1-3,5-6,13,17H,4,7-12,16H2,(H3,25,26,27)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.60E+3n/an/an/an/an/an/a



Instituto de Qu£mica Org£nica General (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human serum BChE using butyrylthiocholine as substrate by Ellman method


Eur J Med Chem 57: 296-301 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.030
BindingDB Entry DOI: 10.7270/Q2MP54CK
More data for this
Ligand-Target Pair