BindingDB logo
myBDB logout

BDBM50142922 CHEMBL3758398

SMILES: CCOC(=O)N1CCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)CC1

InChI Key: InChIKey=ZFFOQTMIAQPJJG-PZJWPPBQSA-N

Data: 2 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 2 hits for monomerid = 50142922   
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
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50142922
PNG
(CHEMBL3758398)
Show SMILES CCOC(=O)N1CCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)CC1 |r|
Show InChI InChI=1S/C23H35ClN4O5/c1-4-33-23(30)28-9-5-15(6-10-28)13-27-8-7-19(21(14-27)32-3)26-22(29)16-11-17(24)18(25)12-20(16)31-2/h11-12,15,19,21H,4-10,13-14,25H2,1-3H3,(H,26,29)/t19-,21+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.58E+3n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel by fluorescence polarization assay


Eur J Med Chem 109: 75-88 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SSP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50142922
PNG
(CHEMBL3758398)
Show SMILES CCOC(=O)N1CCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)CC1 |r|
Show InChI InChI=1S/C23H35ClN4O5/c1-4-33-23(30)28-9-5-15(6-10-28)13-27-8-7-19(21(14-27)32-3)26-22(29)16-11-17(24)18(25)12-20(16)31-2/h11-12,15,19,21H,4-10,13-14,25H2,1-3H3,(H,26,29)/t19-,21+/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 377n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]-GR113808 from human 5-HT4 receptor expressed in African green monkey COS7 cell membranes after 30 mins by liquid scintillation c...


Eur J Med Chem 109: 75-88 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SSP
More data for this
Ligand-Target Pair