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BDBM50103552 CHEMBL3358014

SMILES: CC(C)c1noc(n1)N1CCN([C@H](C)C1)c1ncc(OCc2ccc(cc2F)S(C)(=O)=O)cn1

InChI Key: InChIKey=HCOCJWJTYDDBRV-OAHLLOKOSA-N

Data: 1 IC50  2 EC50

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 3 hits for monomerid = 50103552   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50103552
PNG
(CHEMBL3358014)
Show SMILES CC(C)c1noc(n1)N1CCN([C@H](C)C1)c1ncc(OCc2ccc(cc2F)S(C)(=O)=O)cn1 |r|
Show InChI InChI=1S/C22H27FN6O4S/c1-14(2)20-26-22(33-27-20)28-7-8-29(15(3)12-28)21-24-10-17(11-25-21)32-13-16-5-6-18(9-19(16)23)34(4,30)31/h5-6,9-11,14-15H,7-8,12-13H2,1-4H3/t15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 7.40E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp based electrophysiology method


J Med Chem 57: 8984-98 (2014)


BindingDB Entry DOI: 10.7270/Q29G5PK1
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Mus musculus)
BDBM50103552
PNG
(CHEMBL3358014)
Show SMILES CC(C)c1noc(n1)N1CCN([C@H](C)C1)c1ncc(OCc2ccc(cc2F)S(C)(=O)=O)cn1 |r|
Show InChI InChI=1S/C22H27FN6O4S/c1-14(2)20-26-22(33-27-20)28-7-8-29(15(3)12-28)21-24-10-17(11-25-21)32-13-16-5-6-18(9-19(16)23)34(4,30)31/h5-6,9-11,14-15H,7-8,12-13H2,1-4H3/t15-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 60n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR119 expressed in HEK293S cells assessed as cAMP accumulation incubated for 45 mins by HTRF assay


J Med Chem 57: 8984-98 (2014)


BindingDB Entry DOI: 10.7270/Q29G5PK1
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50103552
PNG
(CHEMBL3358014)
Show SMILES CC(C)c1noc(n1)N1CCN([C@H](C)C1)c1ncc(OCc2ccc(cc2F)S(C)(=O)=O)cn1 |r|
Show InChI InChI=1S/C22H27FN6O4S/c1-14(2)20-26-22(33-27-20)28-7-8-29(15(3)12-28)21-24-10-17(11-25-21)32-13-16-5-6-18(9-19(16)23)34(4,30)31/h5-6,9-11,14-15H,7-8,12-13H2,1-4H3/t15-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 6n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in HEK293S cells assessed as cAMP accumulation incubated for 45 mins by HTRF assay


J Med Chem 57: 8984-98 (2014)


BindingDB Entry DOI: 10.7270/Q29G5PK1
More data for this
Ligand-Target Pair