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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform delta' and Ligand = 'BDBM50300890'   
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


(Rattus norvegicus (rat))
BDBM50300890
PNG
(2-(4-fluorophenyl)-N-(4-(3-(4-fluorophenyl)-5-isop...)
Show SMILES CC(C)c1onc(c1-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H21F2N3O2/c1-15(2)25-23(24(30-32-25)17-5-9-20(27)10-6-17)18-11-12-28-21(14-18)29-22(31)13-16-3-7-19(26)8-4-16/h3-12,14-15H,13H2,1-2H3,(H,28,29,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of GST-fused rat CK1delta by Cherenkov counting in presence of 20 uM ATP


J Med Chem 52: 7618-30 (2009)


Article DOI: 10.1021/jm9005127
BindingDB Entry DOI: 10.7270/Q28K7961
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50300890
PNG
(2-(4-fluorophenyl)-N-(4-(3-(4-fluorophenyl)-5-isop...)
Show SMILES CC(C)c1onc(c1-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H21F2N3O2/c1-15(2)25-23(24(30-32-25)17-5-9-20(27)10-6-17)18-11-12-28-21(14-18)29-22(31)13-16-3-7-19(26)8-4-16/h3-12,14-15H,13H2,1-2H3,(H,28,29,31)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant CK1delta kinase domain by Cherenkov counting


J Med Chem 52: 7618-30 (2009)


Article DOI: 10.1021/jm9005127
BindingDB Entry DOI: 10.7270/Q28K7961
More data for this
Ligand-Target Pair