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BDBM50142923 CHEMBL3758641

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

InChI Key: InChIKey=QLEPBIXAMWJVHY-RBBKRZOGSA-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 = 50142923   
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)
BDBM50142923
PNG
(CHEMBL3758641)
Show SMILES CCCOC(=O)N1CCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)CC1 |r|
Show InChI InChI=1S/C24H37ClN4O5/c1-4-11-34-24(31)29-9-5-16(6-10-29)14-28-8-7-20(22(15-28)33-3)27-23(30)17-12-18(25)19(26)13-21(17)32-2/h12-13,16,20,22H,4-11,14-15,26H2,1-3H3,(H,27,30)/t20-,22+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a<1.00E+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))
BDBM50142923
PNG
(CHEMBL3758641)
Show SMILES CCCOC(=O)N1CCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)CC1 |r|
Show InChI InChI=1S/C24H37ClN4O5/c1-4-11-34-24(31)29-9-5-16(6-10-29)14-28-8-7-20(22(15-28)33-3)27-23(30)17-12-18(25)19(26)13-21(17)32-2/h12-13,16,20,22H,4-11,14-15,26H2,1-3H3,(H,27,30)/t20-,22+/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 134n/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