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PDB code 4HNI

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 4 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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 epsilon

  (294/294 = 100%)
(Homo sapiens (Human))
BDBM50399656
PNG
(CHEMBL2069623)
Show SMILES Nc1ncnc2n(nc(COc3cccc(Cl)c3)c12)C1CCOCC1
Show InChI InChI=1S/C17H18ClN5O2/c18-11-2-1-3-13(8-11)25-9-14-15-16(19)20-10-21-17(15)23(22-14)12-4-6-24-7-5-12/h1-3,8,10,12H,4-7,9H2,(H2,19,20,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
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PDB
Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Casein kinase 1 epsilon


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I isoform epsilon

  (294/294 = 100%)
(Homo sapiens (Human))
BDBM50399656
PNG
(CHEMBL2069623)
Show SMILES Nc1ncnc2n(nc(COc3cccc(Cl)c3)c12)C1CCOCC1
Show InChI InChI=1S/C17H18ClN5O2/c18-11-2-1-3-13(8-11)25-9-14-15-16(19)20-10-21-17(15)23(22-14)12-4-6-24-7-5-12/h1-3,8,10,12H,4-7,9H2,(H2,19,20,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
AffyNet 
PDB
Article
n/an/a 32n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CK1epsilon


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I isoform delta

  (286/294 = 97%)
(Homo sapiens (Human))
BDBM50399656
PNG
(CHEMBL2069623)
Show SMILES Nc1ncnc2n(nc(COc3cccc(Cl)c3)c12)C1CCOCC1
Show InChI InChI=1S/C17H18ClN5O2/c18-11-2-1-3-13(8-11)25-9-14-15-16(19)20-10-21-17(15)23(22-14)12-4-6-24-7-5-12/h1-3,8,10,12H,4-7,9H2,(H2,19,20,21)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
AffyNet 
PDB
Article
n/an/a 711n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CK1delta


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I isoform delta

  (286/294 = 97%)
(Homo sapiens (Human))
BDBM50399656
PNG
(CHEMBL2069623)
Show SMILES Nc1ncnc2n(nc(COc3cccc(Cl)c3)c12)C1CCOCC1
Show InChI InChI=1S/C17H18ClN5O2/c18-11-2-1-3-13(8-11)25-9-14-15-16(19)20-10-21-17(15)23(22-14)12-4-6-24-7-5-12/h1-3,8,10,12H,4-7,9H2,(H2,19,20,21)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
AffyNet 
PDB
Article
PubMed
n/an/a 711n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Casein kinase 1 delta


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output