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BDBM50103557 CHEMBL3358000

SMILES: C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)-n2cnnn2)cn1)c1nnc(o1)C(F)(F)F

InChI Key: InChIKey=AVUCFLHYBFWMSM-GFCCVEGCSA-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 = 50103557   
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))
BDBM50103557
PNG
(CHEMBL3358000)
Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)-n2cnnn2)cn1)c1nnc(o1)C(F)(F)F |r|
Show InChI InChI=1S/C20H18F4N10O2/c1-12-9-32(19-29-28-17(36-19)20(22,23)24)4-5-33(12)18-25-7-15(8-26-18)35-10-13-2-3-14(6-16(13)21)34-11-27-30-31-34/h2-3,6-8,11-12H,4-5,9-10H2,1H3/t12-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.70E+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
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50103557
PNG
(CHEMBL3358000)
Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)-n2cnnn2)cn1)c1nnc(o1)C(F)(F)F |r|
Show InChI InChI=1S/C20H18F4N10O2/c1-12-9-32(19-29-28-17(36-19)20(22,23)24)4-5-33(12)18-25-7-15(8-26-18)35-10-13-2-3-14(6-16(13)21)34-11-27-30-31-34/h2-3,6-8,11-12H,4-5,9-10H2,1H3/t12-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 7n/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
Glucose-dependent insulinotropic receptor


(Mus musculus)
BDBM50103557
PNG
(CHEMBL3358000)
Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)-n2cnnn2)cn1)c1nnc(o1)C(F)(F)F |r|
Show InChI InChI=1S/C20H18F4N10O2/c1-12-9-32(19-29-28-17(36-19)20(22,23)24)4-5-33(12)18-25-7-15(8-26-18)35-10-13-2-3-14(6-16(13)21)34-11-27-30-31-34/h2-3,6-8,11-12H,4-5,9-10H2,1H3/t12-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 58n/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