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BDBM50005008 CHEMBL2397312

SMILES: CC(CC(F)(F)F)C(=O)Nc1nc(C)c(s1)-c1ccc(N)nc1

InChI Key: InChIKey=IIFUCWPNUMIYRT-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50005008   
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
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50005008
PNG
(CHEMBL2397312)
Show SMILES CC(CC(F)(F)F)C(=O)Nc1nc(C)c(s1)-c1ccc(N)nc1
Show InChI InChI=1S/C14H15F3N4OS/c1-7(5-14(15,16)17)12(22)21-13-20-8(2)11(23-13)9-3-4-10(18)19-6-9/h3-4,6-7H,5H2,1-2H3,(H2,18,19)(H,20,21,22)
PDB
MMDB

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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 23: 3841-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.077
BindingDB Entry DOI: 10.7270/Q2BG2QCX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50005008
PNG
(CHEMBL2397312)
Show SMILES CC(CC(F)(F)F)C(=O)Nc1nc(C)c(s1)-c1ccc(N)nc1
Show InChI InChI=1S/C14H15F3N4OS/c1-7(5-14(15,16)17)12(22)21-13-20-8(2)11(23-13)9-3-4-10(18)19-6-9/h3-4,6-7H,5H2,1-2H3,(H2,18,19)(H,20,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI4K3beta (unknown origin)


Bioorg Med Chem Lett 23: 3841-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.077
BindingDB Entry DOI: 10.7270/Q2BG2QCX
More data for this
Ligand-Target Pair