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BDBM50292570 CHEMBL538358::decidium

SMILES: C[N+](C)(C)CCCCCCCCCCn1c(cc(=[NH2+])c2ccc3ccc(N)cc3c12)-c1ccccc1

InChI Key: InChIKey=KGCZCAVBXYUHTB-UHFFFAOYSA-O

Data: 1 KI  2 Kd

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 3 hits for monomerid = 50292570   
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


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50292570
PNG
(CHEMBL538358 | decidium)
Show SMILES C[N+](C)(C)CCCCCCCCCCn1c(cc(=[NH2+])c2ccc3ccc(N)cc3c12)-c1ccccc1
Show InChI InChI=1S/C32H43N4/c1-36(2,3)22-14-9-7-5-4-6-8-13-21-35-31(26-15-11-10-12-16-26)24-30(34)28-20-18-25-17-19-27(33)23-29(25)32(28)35/h10-12,15-20,23-24,34H,4-9,13-14,21-22,33H2,1-3H3/q+1/p+1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.10n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE


J Med Chem 51: 3154-70 (2008)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50292570
PNG
(CHEMBL538358 | decidium)
Show SMILES C[N+](C)(C)CCCCCCCCCCn1c(cc(=[NH2+])c2ccc3ccc(N)cc3c12)-c1ccccc1
Show InChI InChI=1S/C32H43N4/c1-36(2,3)22-14-9-7-5-4-6-8-13-21-35-31(26-15-11-10-12-16-26)24-30(34)28-20-18-25-17-19-27(33)23-29(25)32(28)35/h10-12,15-20,23-24,34H,4-9,13-14,21-22,33H2,1-3H3/q+1/p+1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.160n/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity to mouse AChE by equilibrium binding assay


J Med Chem 51: 3154-70 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50292570
PNG
(CHEMBL538358 | decidium)
Show SMILES C[N+](C)(C)CCCCCCCCCCn1c(cc(=[NH2+])c2ccc3ccc(N)cc3c12)-c1ccccc1
Show InChI InChI=1S/C32H43N4/c1-36(2,3)22-14-9-7-5-4-6-8-13-21-35-31(26-15-11-10-12-16-26)24-30(34)28-20-18-25-17-19-27(33)23-29(25)32(28)35/h10-12,15-20,23-24,34H,4-9,13-14,21-22,33H2,1-3H3/q+1/p+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.0790n/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity to mouse AChE


J Med Chem 51: 3154-70 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)