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BDBM50142909 CHEMBL3759928

SMILES: CO[C@@H]1CN(CCC(=O)N2CCC(Cc3ccccc3)CC2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC

InChI Key: InChIKey=ZTQQPPORKRCKLL-ZFNJMYIBNA-N

Data: 2 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50142909   
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)
BDBM50142909
PNG
(CHEMBL3759928)
Show SMILES CO[C@@H]1CN(CCC(=O)N2CCC(Cc3ccccc3)CC2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1/C29H39ClN4O4/c1-37-26-18-24(31)23(30)17-22(26)29(36)32-25-10-12-33(19-27(25)38-2)13-11-28(35)34-14-8-21(9-15-34)16-20-6-4-3-5-7-20/h3-7,17-18,21,25,27H,8-16,19,31H2,1-2H3,(H,32,36)/t25-,27+/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.70E+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)


Article DOI: 10.1016/j.ejmech.2015.12.006
BindingDB Entry DOI: 10.7270/Q2TT4SSP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50142909
PNG
(CHEMBL3759928)
Show SMILES CO[C@@H]1CN(CCC(=O)N2CCC(Cc3ccccc3)CC2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1/C29H39ClN4O4/c1-37-26-18-24(31)23(30)17-22(26)29(36)32-25-10-12-33(19-27(25)38-2)13-11-28(35)34-14-8-21(9-15-34)16-20-6-4-3-5-7-20/h3-7,17-18,21,25,27H,8-16,19,31H2,1-2H3,(H,32,36)/t25-,27+/s2
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 66n/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
HTR4


(RAT)
BDBM50142909
PNG
(CHEMBL3759928)
Show SMILES CO[C@@H]1CN(CCC(=O)N2CCC(Cc3ccccc3)CC2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1/C29H39ClN4O4/c1-37-26-18-24(31)23(30)17-22(26)29(36)32-25-10-12-33(19-27(25)38-2)13-11-28(35)34-14-8-21(9-15-34)16-20-6-4-3-5-7-20/h3-7,17-18,21,25,27H,8-16,19,31H2,1-2H3,(H,32,36)/t25-,27+/s2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 6.03E+3n/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Agonist activity at 5-HT4 receptor in rat esophageal thoracic muscularis mucosae assessed as carbachol-induced contraction


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