BindingDB logo
myBDB logout

BDBM50135159 (20S,2'E)-20-(N,N-dimethylamino)-3beta-(3'-phenyl-2'-propenyl-N-methylamido)pregnane]::(E)-N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17-((S)-1-Dimethylamino-ethyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl]-N-methyl-3-phenyl-acrylamide::(E)-N-{(1S,6S,7S,11R,12S,15S,16S)-17-[(S)-1-((S)-Dimethyl-amino)-ethyl]-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl}-N-methyl-3-phenyl-acrylamide::CHEMBL409854

SMILES: C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C(=O)\C=C\c1ccccc1)N(C)C

InChI Key: InChIKey=QRUDUXILSDZJOY-UHFFFAOYSA-N

Data: 2 KI  3 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 5 hits for monomerid = 50135159   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Pacific electric ray)
BDBM50135159
PNG
((E)-N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17-((S)-1-Dim...)
GoogleScholar
UniChem
n/an/a 1.99E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cholinesterase


(Human)
BDBM50135159
PNG
((E)-N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17-((S)-1-Dim...)
GoogleScholar
UniChem
n/an/a 4.84E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Human)
BDBM50135159
PNG
((E)-N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17-((S)-1-Dim...)
GoogleScholar
UniChem
n/an/a 1.95E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cholinesterase


(Human)
BDBM50135159
PNG
((E)-N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17-((S)-1-Dim...)
GoogleScholar
UniChem
6.60E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Pacific electric ray)
BDBM50135159
PNG
((E)-N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17-((S)-1-Dim...)
GoogleScholar
UniChem
1.22E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair