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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Motilin receptor' and Ligand = 'BDBM50412896'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Motilin receptor


(Homo sapiens (Human))
BDBM50412896
PNG
(CHEMBL475467)
Show SMILES COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3CCNCC3)cc2)C(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C34H44N4O2/c1-40-32-12-7-8-27(24-32)18-21-38(34(39)36-31-10-3-2-4-11-31)26-30-9-5-6-13-33(30)29-16-14-28(15-17-29)25-37-22-19-35-20-23-37/h5-9,12-17,24,31,35H,2-4,10-11,18-23,25-26H2,1H3,(H,36,39)
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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 100n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in HEK293 cells by calcium mobilization-based FLIPR assay


Bioorg Med Chem Lett 18: 6423-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.071
BindingDB Entry DOI: 10.7270/Q2474C3P
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))
BDBM50412896
PNG
(CHEMBL475467)
Show SMILES COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3CCNCC3)cc2)C(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C34H44N4O2/c1-40-32-12-7-8-27(24-32)18-21-38(34(39)36-31-10-3-2-4-11-31)26-30-9-5-6-13-33(30)29-16-14-28(15-17-29)25-37-22-19-35-20-23-37/h5-9,12-17,24,31,35H,2-4,10-11,18-23,25-26H2,1H3,(H,36,39)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 50.1n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay


Bioorg Med Chem Lett 18: 6423-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.071
BindingDB Entry DOI: 10.7270/Q2474C3P
More data for this
Ligand-Target Pair