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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 465.4
BDBM274649

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))
BDBM274649
PNG
(N-(6-amino-2-(4-fluorophenyl)- [3,6'-biimidazo[1,2...)
Show SMILES Nc1ccc2nc(c(-c3ccc4nc(NC(=O)c5ccncc5)cn4n3)n2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H16FN9O/c25-16-3-1-14(2-4-16)22-23(34-21(30-22)8-6-18(26)32-34)17-5-7-20-28-19(13-33(20)31-17)29-24(35)15-9-11-27-12-10-15/h1-13H,(H2,26,32)(H,29,35)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.694n/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))
BDBM274649
PNG
(N-(6-amino-2-(4-fluorophenyl)- [3,6'-biimidazo[1,2...)
Show SMILES Nc1ccc2nc(c(-c3ccc4nc(NC(=O)c5ccncc5)cn4n3)n2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H16FN9O/c25-16-3-1-14(2-4-16)22-23(34-21(30-22)8-6-18(26)32-34)17-5-7-20-28-19(13-33(20)31-17)29-24(35)15-9-11-27-12-10-15/h1-13H,(H2,26,32)(H,29,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.81n/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