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BDBM50155917 CHEMBL3780798

SMILES: [H]C12CC(C)(C)CCC1(CCC1(C)C2=CCC2([H])C3(C)CC(O)C(O)C(C)(C)C3([H])CCC12C)C(=O)OCc1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=RVDCVHDWRJLXKM-UHFFFAOYNA-N

Data: 2 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50155917   
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 (BuChE)


(Equus caballus (Horse))
BDBM50155917
PNG
(CHEMBL3780798)
Show SMILES CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC34C)C2C1)C(=O)OCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1/C37H53NO6/c1-32(2)16-18-37(31(41)44-22-23-8-10-24(11-9-23)38(42)43)19-17-35(6)25(26(37)20-32)12-13-29-34(5)21-27(39)30(40)33(3,4)28(34)14-15-36(29,35)7/h8-12,26-30,39-40H,13-22H2,1-7H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>4.00E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by Ellman's met...


Eur J Med Chem 103: 438-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.007
BindingDB Entry DOI: 10.7270/Q2WS8W46
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50155917
PNG
(CHEMBL3780798)
Show SMILES CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC34C)C2C1)C(=O)OCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1/C37H53NO6/c1-32(2)16-18-37(31(41)44-22-23-8-10-24(11-9-23)38(42)43)19-17-35(6)25(26(37)20-32)12-13-29-34(5)21-27(39)30(40)33(3,4)28(34)14-15-36(29,35)7/h8-12,26-30,39-40H,13-22H2,1-7H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.14E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by E...


Eur J Med Chem 103: 438-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.007
BindingDB Entry DOI: 10.7270/Q2WS8W46
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50155917
PNG
(CHEMBL3780798)
Show SMILES CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC34C)C2C1)C(=O)OCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1/C37H53NO6/c1-32(2)16-18-37(31(41)44-22-23-8-10-24(11-9-23)38(42)43)19-17-35(6)25(26(37)20-32)12-13-29-34(5)21-27(39)30(40)33(3,4)28(34)14-15-36(29,35)7/h8-12,26-30,39-40H,13-22H2,1-7H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.41E+3n/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by E...


Eur J Med Chem 103: 438-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.007
BindingDB Entry DOI: 10.7270/Q2WS8W46
More data for this
Ligand-Target Pair