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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 = 'BDBM50439432'   
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


(Homo sapiens (Human))
BDBM50439432
PNG
(CHEMBL2420703)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccnc2CNCCOc12
Show InChI InChI=1S/C18H17FN4O/c1-23-11-15(17(22-23)12-2-4-13(19)5-3-12)14-6-7-21-16-10-20-8-9-24-18(14)16/h2-7,11,20H,8-10H2,1H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CK1 delta (unknown origin) using PLSRTLpSVASLPGL as substrate after 60 mins by microplate reader analysis


J Med Chem 56: 6819-28 (2013)


Article DOI: 10.1021/jm4006324
BindingDB Entry DOI: 10.7270/Q2125V36
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50439432
PNG
(CHEMBL2420703)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccnc2CNCCOc12
Show InChI InChI=1S/C18H17FN4O/c1-23-11-15(17(22-23)12-2-4-13(19)5-3-12)14-6-7-21-16-10-20-8-9-24-18(14)16/h2-7,11,20H,8-10H2,1H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 42n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK1 delta transfected in african green monkey cos7 cells after overnight incubation by whole cell assay


J Med Chem 56: 6819-28 (2013)


Article DOI: 10.1021/jm4006324
BindingDB Entry DOI: 10.7270/Q2125V36
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)