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BDBM255247 US9475817, 187

SMILES: Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)OCc3ccccc3)cn2n1

InChI Key: InChIKey=SMWOEANAQLSZPC-UHFFFAOYSA-N

Data: 2 IC50

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 = 255247   
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))
BDBM255247
PNG
(US9475817, 187)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)OCc3ccccc3)cn2n1
Show InChI InChI=1S/C24H19FN6O2/c1-30-13-19(23(29-30)17-7-9-18(25)10-8-17)20-11-12-22-26-21(14-31(22)28-20)27-24(32)33-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,27,32)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 51.5n/an/an/an/a7.425



Bristol-Myers Squibb Co.

US Patent


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


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM255247
PNG
(US9475817, 187)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccc2nc(NC(=O)OCc3ccccc3)cn2n1
Show InChI InChI=1S/C24H19FN6O2/c1-30-13-19(23(29-30)17-7-9-18(25)10-8-17)20-11-12-22-26-21(14-31(22)28-20)27-24(32)33-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,27,32)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>2.00E+3n/an/an/an/a7.425



Bristol-Myers Squibb Co.

US Patent


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


US Patent US9475817 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
More data for this
Ligand-Target Pair