BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 418.4
BDBM302680

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM302680
PNG
(N5-(4-Cyanophenyl)-2- (4-fluoro-3- methylphenyl)-6...)
Show SMILES Cc1cc(ccc1F)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc(cc1)[N+]#[C-] |$;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;$|
Show InChI InChI=1S/C22H19FN6O2/c1-13-11-14(3-8-17(13)23)20-19(21(24)30)18-12-28(9-10-29(18)27-20)22(31)26-16-6-4-15(25-2)5-7-16/h3-8,11H,9-10,12H2,1H3,(H2,24,30)(H,26,31)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9598423 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2JT9
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM302680
PNG
(N5-(4-Cyanophenyl)-2- (4-fluoro-3- methylphenyl)-6...)
Show SMILES Cc1cc(ccc1F)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc(cc1)[N+]#[C-] |$;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;$|
Show InChI InChI=1S/C22H19FN6O2/c1-13-11-14(3-8-17(13)23)20-19(21(24)30)18-12-28(9-10-29(18)27-20)22(31)26-16-6-4-15(25-2)5-7-16/h3-8,11H,9-10,12H2,1H3,(H2,24,30)(H,26,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...


US Patent US9598423 (2017)


BindingDB Entry DOI: 10.7270/Q2FJ2JT9
More data for this
Ligand-Target Pair