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SMILES: NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1cc(F)cc(F)c1

InChI Key: InChIKey=MKRCTXCJLAQGIZ-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 = 302465   
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))
BDBM302465
PNG
(N5-(3,5-Difluorophenyl)- 2-(3-fluorophenyl)-6,7- d...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1cc(F)cc(F)c1
Show InChI InChI=1S/C20H16F3N5O2/c21-12-3-1-2-11(6-12)18-17(19(24)29)16-10-27(4-5-28(16)26-18)20(30)25-15-8-13(22)7-14(23)9-15/h1-3,6-9H,4-5,10H2,(H2,24,29)(H,25,30)
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))
BDBM302465
PNG
(N5-(3,5-Difluorophenyl)- 2-(3-fluorophenyl)-6,7- d...)
Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1cc(F)cc(F)c1
Show InChI InChI=1S/C20H16F3N5O2/c21-12-3-1-2-11(6-12)18-17(19(24)29)16-10-27(4-5-28(16)26-18)20(30)25-15-8-13(22)7-14(23)9-15/h1-3,6-9H,4-5,10H2,(H2,24,29)(H,25,30)
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