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SMILES: NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=XMOYYGJKQYQYCB-UHFFFAOYSA-N

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 = 302455   
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
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM302455
PNG
(2-(3-Fluorophenyl)-N5- (4-(trifluoromethyl) phenyl...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H17F4N5O2/c22-14-3-1-2-12(10-14)18-17(19(26)31)16-11-29(8-9-30(16)28-18)20(32)27-15-6-4-13(5-7-15)21(23,24)25/h1-7,10H,8-9,11H2,(H2,26,31)(H,27,32)
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))
BDBM302455
PNG
(2-(3-Fluorophenyl)-N5- (4-(trifluoromethyl) phenyl...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H17F4N5O2/c22-14-3-1-2-12(10-14)18-17(19(26)31)16-11-29(8-9-30(16)28-18)20(32)27-15-6-4-13(5-7-15)21(23,24)25/h1-7,10H,8-9,11H2,(H2,26,31)(H,27,32)
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