BindingDB logo
myBDB logout

BDBM50520724 CHEMBL4559828

SMILES: Clc1ccc(CC2(COc3cccnc3)CCNCC2)cc1Cl

InChI Key: InChIKey=DFIMBYYXCVFOEJ-UHFFFAOYSA-N

Data: 1 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

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 2 hits for monomerid = 50520724   
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
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50520724
PNG
(CHEMBL4559828)
Show SMILES Clc1ccc(CC2(COc3cccnc3)CCNCC2)cc1Cl
Show InChI InChI=1S/C18H20Cl2N2O/c19-16-4-3-14(10-17(16)20)11-18(5-8-21-9-6-18)13-23-15-2-1-7-22-12-15/h1-4,7,10,12,21H,5-6,8-9,11,13H2
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
72n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...


Eur J Med Chem 160: 37-48 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.073
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50520724
PNG
(CHEMBL4559828)
Show SMILES Clc1ccc(CC2(COc3cccnc3)CCNCC2)cc1Cl
Show InChI InChI=1S/C18H20Cl2N2O/c19-16-4-3-14(10-17(16)20)11-18(5-8-21-9-6-18)13-23-15-2-1-7-22-12-15/h1-4,7,10,12,21H,5-6,8-9,11,13H2
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 106n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...


Eur J Med Chem 160: 37-48 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.073
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)