BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 443.4
BDBM274746

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))
BDBM274746
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccc(O)nc4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C23H18FN7O2/c1-13-26-21(14-3-6-16(24)7-4-14)22(30(13)2)17-8-9-19-27-18(12-31(19)29-17)28-23(33)15-5-10-20(32)25-11-15/h3-12H,1-2H3,(H,25,32)(H,28,33)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.473n/an/an/an/a7.425



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 US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM274746
PNG
(N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...)
Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccc(O)nc4)cn3n2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C23H18FN7O2/c1-13-26-21(14-3-6-16(24)7-4-14)22(30(13)2)17-8-9-19-27-18(12-31(19)29-17)28-23(33)15-5-10-20(32)25-11-15/h3-12H,1-2H3,(H,25,32)(H,28,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.76n/an/an/an/a7.425



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 US9556179 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GR5
More data for this
Ligand-Target Pair