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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 383.2
BDBM50025023

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   
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))
BDBM50025023
PNG
(CHEMBL3337851)
Show SMILES FC(F)Oc1cccc(c1)C(=O)Nc1nc2cc3OC(F)(F)Oc3cc2[nH]1
Show InChI InChI=1S/C16H9F4N3O4/c17-14(18)25-8-3-1-2-7(4-8)13(24)23-15-21-9-5-11-12(6-10(9)22-15)27-16(19,20)26-11/h1-6,14H,(H2,21,22,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Ulm University Hospital

Curated by ChEMBL


Assay Description
Inhibition of rat CK1delta kinetic domain expressed in Escherichia coli using GST-p53 (1 to 64 residues) by SDS-PAGE based autoradiography


J Med Chem 57: 7933-46 (2014)


Article DOI: 10.1021/jm500600b
BindingDB Entry DOI: 10.7270/Q2N0183J
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Rattus norvegicus (rat))
BDBM50025023
PNG
(CHEMBL3337851)
Show SMILES FC(F)Oc1cccc(c1)C(=O)Nc1nc2cc3OC(F)(F)Oc3cc2[nH]1
Show InChI InChI=1S/C16H9F4N3O4/c17-14(18)25-8-3-1-2-7(4-8)13(24)23-15-21-9-5-11-12(6-10(9)22-15)27-16(19,20)26-11/h1-6,14H,(H2,21,22,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Ulm University Hospital

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged rat CK1delta expressed in Escherichia coli using GST-p53 (1 to 64 residues) by SDS-PAGE based autoradiography


J Med Chem 57: 7933-46 (2014)


Article DOI: 10.1021/jm500600b
BindingDB Entry DOI: 10.7270/Q2N0183J
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM50025023
PNG
(CHEMBL3337851)
Show SMILES FC(F)Oc1cccc(c1)C(=O)Nc1nc2cc3OC(F)(F)Oc3cc2[nH]1
Show InChI InChI=1S/C16H9F4N3O4/c17-14(18)25-8-3-1-2-7(4-8)13(24)23-15-21-9-5-11-12(6-10(9)22-15)27-16(19,20)26-11/h1-6,14H,(H2,21,22,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 320n/an/an/an/an/an/a



Ulm University Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK1epsilon expressed in Escherichia coli using GST-p53 (1 to 64 residues) by SDS-PAGE based autoradiography


J Med Chem 57: 7933-46 (2014)


Article DOI: 10.1021/jm500600b
BindingDB Entry DOI: 10.7270/Q2N0183J
More data for this
Ligand-Target Pair