BindingDB logo
myBDB logout

BDBM50379175 CHEMBL2010836

SMILES: CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1

InChI Key: InChIKey=AZRVSANIIWCDJQ-UHFFFAOYSA-N

Data: 6 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 8 hits for monomerid = 50379175   
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
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50379175
PNG
(CHEMBL2010836)
Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C23H25F3N6O/c1-30(22(33)14-17-4-8-21(9-5-17)32-16-27-28-29-32)20-10-12-31(13-11-20)15-18-2-6-19(7-3-18)23(24,25)26/h2-9,16,20H,10-15H2,1H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 74n/an/an/an/a



Astrazeneca U K Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 receptor expressed in HEK293 cells assessed as cAMP accumulation after 45 mins by fluorescence assay


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379175
PNG
(CHEMBL2010836)
Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C23H25F3N6O/c1-30(22(33)14-17-4-8-21(9-5-17)32-16-27-28-29-32)20-10-12-31(13-11-20)15-18-2-6-19(7-3-18)23(24,25)26/h2-9,16,20H,10-15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Astrazeneca U K Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Mus musculus)
BDBM50379175
PNG
(CHEMBL2010836)
Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C23H25F3N6O/c1-30(22(33)14-17-4-8-21(9-5-17)32-16-27-28-29-32)20-10-12-31(13-11-20)15-18-2-6-19(7-3-18)23(24,25)26/h2-9,16,20H,10-15H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 147n/an/an/an/a



Astrazeneca U K Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR119 by cAMP assay


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50379175
PNG
(CHEMBL2010836)
Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C23H25F3N6O/c1-30(22(33)14-17-4-8-21(9-5-17)32-16-27-28-29-32)20-10-12-31(13-11-20)15-18-2-6-19(7-3-18)23(24,25)26/h2-9,16,20H,10-15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Astrazeneca U K Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 by HTRF assay


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50379175
PNG
(CHEMBL2010836)
Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C23H25F3N6O/c1-30(22(33)14-17-4-8-21(9-5-17)32-16-27-28-29-32)20-10-12-31(13-11-20)15-18-2-6-19(7-3-18)23(24,25)26/h2-9,16,20H,10-15H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Astrazeneca U K Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by HTRF assay


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50379175
PNG
(CHEMBL2010836)
Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C23H25F3N6O/c1-30(22(33)14-17-4-8-21(9-5-17)32-16-27-28-29-32)20-10-12-31(13-11-20)15-18-2-6-19(7-3-18)23(24,25)26/h2-9,16,20H,10-15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Astrazeneca U K Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 by HTRF assay


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50379175
PNG
(CHEMBL2010836)
Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C23H25F3N6O/c1-30(22(33)14-17-4-8-21(9-5-17)32-16-27-28-29-32)20-10-12-31(13-11-20)15-18-2-6-19(7-3-18)23(24,25)26/h2-9,16,20H,10-15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Astrazeneca U K Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 by HTRF assay


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50379175
PNG
(CHEMBL2010836)
Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C23H25F3N6O/c1-30(22(33)14-17-4-8-21(9-5-17)32-16-27-28-29-32)20-10-12-31(13-11-20)15-18-2-6-19(7-3-18)23(24,25)26/h2-9,16,20H,10-15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Astrazeneca U K Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 by HTRF assay


Bioorg Med Chem Lett 21: 7310-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF
More data for this
Ligand-Target Pair