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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 274489   
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))
BDBM274489
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (2-(methyl...)
Show SMILES CS(=O)(=O)CC(=O)N1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C29H26F2N8O4S/c1-44(42,43)16-26(40)37-12-9-21(10-13-37)38-17-33-27(18-2-4-20(30)5-3-18)28(38)22-6-7-25-34-24(15-39(25)36-22)35-29(41)19-8-11-32-23(31)14-19/h2-8,11,14-15,17,21H,9-10,12-13,16H2,1H3,(H,35,41)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.233n/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))
BDBM274489
PNG
(2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (2-(methyl...)
Show SMILES CS(=O)(=O)CC(=O)N1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C29H26F2N8O4S/c1-44(42,43)16-26(40)37-12-9-21(10-13-37)38-17-33-27(18-2-4-20(30)5-3-18)28(38)22-6-7-25-34-24(15-39(25)36-22)35-29(41)19-8-11-32-23(31)14-19/h2-8,11,14-15,17,21H,9-10,12-13,16H2,1H3,(H,35,41)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.457n/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