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SMILES: Cc1cc(F)cc(c1)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc2OC(F)(F)Oc2c1

InChI Key: InChIKey=KPORKOAJVIFSTI-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 = 302659   
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))
BDBM302659
PNG
(N5-(2,2-Difluorobenzo[d] [1,3]dioxol-5-yl)-2-(3- f...)
Show SMILES Cc1cc(F)cc(c1)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc2OC(F)(F)Oc2c1 |$;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;$|
Show InChI InChI=1S/C22H18F3N5O4/c1-11-6-12(8-13(23)7-11)19-18(20(26)31)15-10-29(4-5-30(15)28-19)21(32)27-14-2-3-16-17(9-14)34-22(24,25)33-16/h2-3,6-9H,4-5,10H2,1H3,(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))
BDBM302659
PNG
(N5-(2,2-Difluorobenzo[d] [1,3]dioxol-5-yl)-2-(3- f...)
Show SMILES Cc1cc(F)cc(c1)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc2OC(F)(F)Oc2c1 |$;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;$|
Show InChI InChI=1S/C22H18F3N5O4/c1-11-6-12(8-13(23)7-11)19-18(20(26)31)15-10-29(4-5-30(15)28-19)21(32)27-14-2-3-16-17(9-14)34-22(24,25)33-16/h2-3,6-9H,4-5,10H2,1H3,(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