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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform alpha' and Ligand = 'BDBM50420283'   
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 alpha


(Homo sapiens (Human))
BDBM50420283
PNG
(CHEMBL2089214)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Nc3ncc4c(N)[nH]nc4n3)c2)[nH]n1
Show InChI InChI=1S/C19H22N10O/c1-19(2,3)13-8-14(27-26-13)24-18(30)23-11-6-4-5-10(7-11)22-17-21-9-12-15(20)28-29-16(12)25-17/h4-9H,1-3H3,(H3,23,24,26,27,30)(H4,20,21,22,25,28,29)
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 142n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1 using KRRRALS(p)VASLPGL as substrate after 40 mins by scintillation counter


Eur J Med Chem 56: 30-38 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.007
BindingDB Entry DOI: 10.7270/Q2FJ2J2F
More data for this
Ligand-Target Pair