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Compile Data Set for Download or QSAR

Found 33 hits with Last Name = 'grieco' and Initial = 'i'   
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))
BDBM50563723
PNG
(CHEMBL4128865)
Show SMILES Nc1nccc(n1)-c1c(ncn1C1CCN(Cc2ccon2)CC1)-c1ccc(F)cc1
PDB

UniProtKB/SwissProt

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MCE
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PDB
UniChem
PDB
Article
PubMed
n/an/a 3.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild-type human CK1delta using PLSRTLpSVASLPGL as substrate incubated for 40 mins in presence of ATP by Kinase-Glo luminescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113331
BindingDB Entry DOI: 10.7270/Q2571GRM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM50364141
PNG
(CHEMBL1951415)
Show SMILES Nc1nccc(n1)-c1c(ncn1C1CCCCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN5/c20-14-8-6-13(7-9-14)17-18(16-10-11-22-19(21)24-16)25(12-23-17)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H2,21,22,24)
PDB

KEGG

UniProtKB/SwissProt

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PDB
Article
PubMed
n/an/a 7.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full-length human CK1epsilon expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL competent cells using PLSRTLpSVASLPGL as substrate i...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113331
BindingDB Entry DOI: 10.7270/Q2571GRM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50364141
PNG
(CHEMBL1951415)
Show SMILES Nc1nccc(n1)-c1c(ncn1C1CCCCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN5/c20-14-8-6-13(7-9-14)17-18(16-10-11-22-19(21)24-16)25(12-23-17)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H2,21,22,24)
PDB

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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full-length human CK1delta expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL competent cells using PLSRTLpSVASLPGL as substrate inc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113331
BindingDB Entry DOI: 10.7270/Q2571GRM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM50563723
PNG
(CHEMBL4128865)
Show SMILES Nc1nccc(n1)-c1c(ncn1C1CCN(Cc2ccon2)CC1)-c1ccc(F)cc1
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild-type human CK1epsilon using PLSRTLpSVASLPGL as substrate incubated for 70 mins in presence of ATP by Kinase-Glo luminescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113331
BindingDB Entry DOI: 10.7270/Q2571GRM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50563717
PNG
(CHEMBL4742954)
Show SMILES Nc1nc(NCc2ccccc2)nc2nc(nn12)-c1cc(O)cc(O)c1
PDB

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n/an/a 180n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged CK1delta (1 to 294 residues) using casein as substrate measured after 60 mins in presence of AT...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113331
BindingDB Entry DOI: 10.7270/Q2571GRM
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50563710
PNG
(CHEMBL4793727)
Show SMILES OC(=O)C(F)(F)F.NCCNC(=O)c1cnc(N)n2nc(nc12)-c1cc(O)cc(O)c1
PDB

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n/an/a 210n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged CK1delta (1 to 294 residues) using casein as substrate measured after 60 mins in presence of AT...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113331
BindingDB Entry DOI: 10.7270/Q2571GRM
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50563711
PNG
(CHEMBL4793501)
Show SMILES Nc1nc(NCc2ccccc2)cc2nc(nn12)-c1cccc(O)c1
PDB

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n/an/a 300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged CK1delta (1 to 294 residues) using casein as substrate measured after 60 mins in presence of AT...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113331
BindingDB Entry DOI: 10.7270/Q2571GRM
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50563717
PNG
(CHEMBL4742954)
Show SMILES Nc1nc(NCc2ccccc2)nc2nc(nn12)-c1cc(O)cc(O)c1
PDB

UniProtKB/SwissProt

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n/an/a 300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged CK1delta using casein as substrate measured after 10 mins in presence of ATP by Kin...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113331
BindingDB Entry DOI: 10.7270/Q2571GRM
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50563706
PNG
(CHEMBL4776464)
Show SMILES CCNC(=O)c1cnc(N)n2nc(nc12)-c1cccc(O)c1
PDB

UniProtKB/SwissProt

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n/an/a 320n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged CK1delta (1 to 294 residues) using casein as substrate measured after 60 mins in presence of AT...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113331
BindingDB Entry DOI: 10.7270/Q2571GRM
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50563714
PNG
(CHEMBL4760165)
Show SMILES Nc1nc(NCc2ccccc2)nc2nc(nn12)-c1cccc(O)c1
PDB

UniProtKB/SwissProt

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n/an/a 460n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged CK1delta (1 to 294 residues) using casein as substrate measured after 60 mins in presence of AT...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113331
BindingDB Entry DOI: 10.7270/Q2571GRM
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50563719
PNG
(CHEMBL4784755)
Show SMILES Nc1nc(NCc2ccc(F)cc2)nc2nc(nn12)-c1cc(O)cc(O)c1
PDB

UniProtKB/SwissProt

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n/an/a 470n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged CK1delta (1 to 294 residues) using casein as substrate measured after 60 mins in presence of AT...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113331
BindingDB Entry DOI: 10.7270/Q2571GRM
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50563704
PNG
(CHEMBL4752690)
Show SMILES CCOC(=O)c1cnc(N)n2nc(nc12)-c1cc(O)cc(O)c1
PDB

UniProtKB/SwissProt

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n/an/a 480n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged CK1delta (1 to 294 residues) using casein as substrate measured after 60 mins in presence of AT...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113331
BindingDB Entry DOI: 10.7270/Q2571GRM
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50563720
PNG
(CHEMBL4745216)
Show SMILES Cc1cccc(CNc2nc(N)n3nc(nc3n2)-c2cc(O)cc(O)c2)c1
PDB

UniProtKB/SwissProt

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n/an/a 530n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged CK1delta (1 to 294 residues) using casein as substrate measured after 60 mins in presence of AT...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113331
BindingDB Entry DOI: 10.7270/Q2571GRM
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50563721
PNG
(CHEMBL4782184)
Show SMILES Nc1nc(NC2CCCCC2)nc2nc(nn12)-c1cc(O)cc(O)c1
PDB

UniProtKB/SwissProt

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n/an/a 670n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged CK1delta (1 to 294 residues) using casein as substrate measured after 60 mins in presence of AT...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113331
BindingDB Entry DOI: 10.7270/Q2571GRM
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50563712
PNG
(CHEMBL4795601)
Show SMILES Nc1nc(NCc2ccccc2)cc2nc(nn12)-c1cc(O)cc(O)c1
PDB

UniProtKB/SwissProt

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n/an/a 740n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged CK1delta (1 to 294 residues) using casein as substrate measured after 60 mins in presence of AT...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113331
BindingDB Entry DOI: 10.7270/Q2571GRM
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50563718
PNG
(CHEMBL4793180)
Show SMILES Nc1nc(NCc2ccc(Cl)cc2)nc2nc(nn12)-c1cc(O)cc(O)c1
PDB

UniProtKB/SwissProt

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n/an/a 750n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged CK1delta (1 to 294 residues) using casein as substrate measured after 60 mins in presence of AT...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113331
BindingDB Entry DOI: 10.7270/Q2571GRM
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50563716
PNG
(CHEMBL4783829)
Show SMILES Nc1nc(NCc2ccccc2)nc2nc(nn12)-c1ccc(O)c(O)c1
PDB

UniProtKB/SwissProt

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n/an/a 910n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged CK1delta (1 to 294 residues) using casein as substrate measured after 60 mins in presence of AT...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113331
BindingDB Entry DOI: 10.7270/Q2571GRM
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50563707
PNG
(CHEMBL4761245)
Show SMILES CCNC(=O)c1cnc(N)n2nc(nc12)-c1cc(O)cc(O)c1
PDB

UniProtKB/SwissProt

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n/an/a 990n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged CK1delta (1 to 294 residues) using casein as substrate measured after 60 mins in presence of AT...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113331
BindingDB Entry DOI: 10.7270/Q2571GRM
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50563709
PNG
(CHEMBL4744604)
Show SMILES OC(=O)C(F)(F)F.NCCNC(=O)c1cnc(N)n2nc(nc12)-c1cccc(O)c1
PDB

UniProtKB/SwissProt

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n/an/a 1.26E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged CK1delta (1 to 294 residues) using casein as substrate measured after 60 mins in presence of AT...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113331
BindingDB Entry DOI: 10.7270/Q2571GRM
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50563713
PNG
(CHEMBL4783769)
Show SMILES Nc1nc(NCc2ccccc2)nc2nc(nn12)-c1ccc(O)cc1
PDB

UniProtKB/SwissProt

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n/an/a 1.32E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged CK1delta (1 to 294 residues) using casein as substrate measured after 60 mins in presence of AT...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113331
BindingDB Entry DOI: 10.7270/Q2571GRM
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50563702
PNG
(CHEMBL4785118)
Show SMILES CCOC(=O)c1cnc(N)n2nc(nc12)-c1cccc(O)c1
PDB

UniProtKB/SwissProt

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n/an/a 2.06E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged CK1delta (1 to 294 residues) using casein as substrate measured after 60 mins in presence of AT...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113331
BindingDB Entry DOI: 10.7270/Q2571GRM
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50563722
PNG
(CHEMBL4743699)
Show SMILES COc1cc(O)cc(c1)-c1nc2nc(NC3CCCCC3)nc(N)n2n1
PDB

UniProtKB/SwissProt

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n/an/a 3.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged CK1delta (1 to 294 residues) using casein as substrate measured after 60 mins in presence of AT...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113331
BindingDB Entry DOI: 10.7270/Q2571GRM
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50563703
PNG
(CHEMBL4752279)
Show SMILES CCOC(=O)c1cnc(N)n2nc(nc12)-c1ccc(O)c(O)c1
PDB

UniProtKB/SwissProt

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n/an/a 4.75E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged CK1delta (1 to 294 residues) using casein as substrate measured after 60 mins in presence of AT...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113331
BindingDB Entry DOI: 10.7270/Q2571GRM
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50563708
PNG
(CHEMBL4743742)
Show SMILES CC(C)(C)OC(=O)NCCNC(=O)c1cnc(N)n2nc(nc12)-c1cc(O)cc(O)c1
PDB

UniProtKB/SwissProt

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n/an/a 5.32E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged CK1delta (1 to 294 residues) using casein as substrate measured after 60 mins in presence of AT...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113331
BindingDB Entry DOI: 10.7270/Q2571GRM
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50563715
PNG
(CHEMBL4758938)
Show SMILES COc1ccc(cc1OC)-c1nc2cc(NCc3ccccc3)nc(N)n2n1
PDB

UniProtKB/SwissProt

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n/an/a 5.65E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged CK1delta (1 to 294 residues) using casein as substrate measured after 60 mins in presence of AT...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113331
BindingDB Entry DOI: 10.7270/Q2571GRM
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50563697
PNG
(CHEMBL4754212)
Show SMILES CCOC(=O)c1cnc(N)n2nc(nc12)-c1ccccc1
PDB

UniProtKB/SwissProt

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n/an/a 8.67E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged CK1delta (1 to 294 residues) using casein as substrate measured after 60 mins in presence of AT...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113331
BindingDB Entry DOI: 10.7270/Q2571GRM
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50563696
PNG
(CHEMBL4747427)
Show SMILES CCOC(=O)c1cnc(N)n2nc(nc12)C1CCCC1
PDB

UniProtKB/SwissProt

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n/an/a 1.23E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged CK1delta (1 to 294 residues) using casein as substrate measured after 60 mins in presence of AT...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113331
BindingDB Entry DOI: 10.7270/Q2571GRM
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50563695
PNG
(CHEMBL4790041)
Show SMILES CCOC(=O)c1cnc(N)n2nc(C)nc12
PDB

UniProtKB/SwissProt

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n/an/a 1.52E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged CK1delta (1 to 294 residues) using casein as substrate measured after 60 mins in presence of AT...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113331
BindingDB Entry DOI: 10.7270/Q2571GRM
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50563700
PNG
(CHEMBL4800506)
Show SMILES CCOC(=O)c1cnc(N)n2nc(nc12)-c1cccc(F)c1
PDB

UniProtKB/SwissProt

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n/an/a 1.52E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged CK1delta (1 to 294 residues) using casein as substrate measured after 60 mins in presence of AT...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113331
BindingDB Entry DOI: 10.7270/Q2571GRM
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50563701
PNG
(CHEMBL4762847)
Show SMILES CCOC(=O)c1cnc(N)n2nc(nc12)-c1cccc(N)c1
PDB

UniProtKB/SwissProt

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n/an/a 1.66E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged CK1delta (1 to 294 residues) using casein as substrate measured after 60 mins in presence of AT...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113331
BindingDB Entry DOI: 10.7270/Q2571GRM
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50563698
PNG
(CHEMBL4758812)
Show SMILES CCOC(=O)c1cnc(N)n2nc(nc12)-c1ccncc1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.02E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged CK1delta (1 to 294 residues) using casein as substrate measured after 60 mins in presence of AT...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113331
BindingDB Entry DOI: 10.7270/Q2571GRM
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50563699
PNG
(CHEMBL4747963)
Show SMILES CCOC(=O)c1cnc(N)n2nc(nc12)-c1cccc(OC)c1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged CK1delta (1 to 294 residues) using casein as substrate measured after 60 mins in presence of AT...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113331
BindingDB Entry DOI: 10.7270/Q2571GRM
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50563705
PNG
(CHEMBL4789473)
Show SMILES Nc1ncc(C(O)=O)c2nc(nn12)-c1cccc(O)c1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.68E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-tagged CK1delta (1 to 294 residues) using casein as substrate measured after 60 mins in presence of AT...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113331
BindingDB Entry DOI: 10.7270/Q2571GRM
More data for this
Ligand-Target Pair