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BDBM50142903 CHEMBL3759362

SMILES: CO[C@@H]1CN(CC2CCN(CC2)C(C)=O)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC

InChI Key: InChIKey=AACMOCSSQXOERG-LMPOMZQGNA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50142903   
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
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50142903
PNG
(CHEMBL3759362)
Show SMILES CO[C@@H]1CN(CC2CCN(CC2)C(C)=O)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1/C22H33ClN4O4/c1-14(28)27-8-4-15(5-9-27)12-26-7-6-19(21(13-26)31-3)25-22(29)16-10-17(23)18(24)11-20(16)30-2/h10-11,15,19,21H,4-9,12-13,24H2,1-3H3,(H,25,29)/t19-,21+/s2
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 592n/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)


Article DOI: 10.1016/j.ejmech.2015.12.006
BindingDB Entry DOI: 10.7270/Q2TT4SSP
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50142903
PNG
(CHEMBL3759362)
Show SMILES CO[C@@H]1CN(CC2CCN(CC2)C(C)=O)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1/C22H33ClN4O4/c1-14(28)27-8-4-15(5-9-27)12-26-7-6-19(21(13-26)31-3)25-22(29)16-10-17(23)18(24)11-20(16)30-2/h10-11,15,19,21H,4-9,12-13,24H2,1-3H3,(H,25,29)/t19-,21+/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/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)


Article DOI: 10.1016/j.ejmech.2015.12.006
BindingDB Entry DOI: 10.7270/Q2TT4SSP
More data for this
Ligand-Target Pair