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Compile Data Set for Download or QSAR

Found 179 hits with Last Name = 'quereda' and Initial = 'v'   
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
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50577925
PNG
(CHEMBL4846565)
Show SMILES Cl.CC(C)(Oc1cccc(c1)N1CCC[C@H](C1)C(=O)N(Cc1ccc(cc1)-c1cn[nH]c1)C1CC1)C(=O)N1CCNCC1 |r|
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UniChem
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PubMed
760n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-terminal biotinyla...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00742
BindingDB Entry DOI: 10.7270/Q2SN0DSK
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50577932
PNG
(CHEMBL4853982)
Show SMILES Cl.CCOCCN(Cc1ccc(cc1)-c1cn[nH]c1)C(=O)[C@@H]1CCCN(C1)c1cccc(OC(C)(C)C(=O)N2CCNCC2)c1 |r|
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1.90E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-terminal biotinyla...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00742
BindingDB Entry DOI: 10.7270/Q2SN0DSK
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50577931
PNG
(CHEMBL4863751)
Show SMILES Cl.CCN(Cc1ccc(cc1)-c1cn[nH]c1)C(=O)[C@@H]1CCCN(C1)c1cccc(OC(C)(C)C(=O)N2CCNCC2)c1 |r|
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2.10E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-terminal biotinyla...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00742
BindingDB Entry DOI: 10.7270/Q2SN0DSK
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50577917
PNG
(CHEMBL4874860)
Show SMILES Cl.CC(C)c1ccc(CN(C2CC2)C(=O)[C@@H]2CCCN(C2)c2cccc(OC(C)(C)C(=O)N3CCNCC3)c2)cc1 |r|
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2.70E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-terminal biotinyla...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00742
BindingDB Entry DOI: 10.7270/Q2SN0DSK
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50577920
PNG
(CHEMBL4857780)
Show SMILES Cl.CC(C)(Oc1cccc(c1)N1CCC[C@H](C1)C(=O)N(Cc1ccc(cc1)-c1ccccc1)C1CC1)C(=O)N1CCNCC1 |r|
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4.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-terminal biotinyla...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00742
BindingDB Entry DOI: 10.7270/Q2SN0DSK
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50577916
PNG
(CHEMBL4851887)
Show SMILES Cl.CC(C)N(Cc1ccc(cc1)C(C)C)C(=O)[C@@H]1CCCN(C1)c1cccc(OC(C)(C)C(=O)N2CCNCC2)c1 |r|
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4.60E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-terminal biotinyla...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00742
BindingDB Entry DOI: 10.7270/Q2SN0DSK
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50577919
PNG
(CHEMBL4869003)
Show SMILES Cl.CC(C)(Oc1cccc(c1)N1CCC[C@H](C1)C(=O)N(Cc1ccc(cc1)C1CCCCC1)C1CC1)C(=O)N1CCNCC1 |r|
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4.80E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-terminal biotinyla...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00742
BindingDB Entry DOI: 10.7270/Q2SN0DSK
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50577921
PNG
(CHEMBL4860362)
Show SMILES Cl.CC(C)(Oc1cccc(c1)N1CCC[C@H](C1)C(=O)N(Cc1ccc(cc1)-c1ccsc1)C1CC1)C(=O)N1CCNCC1 |r|
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UniChem
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5.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-terminal biotinyla...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00742
BindingDB Entry DOI: 10.7270/Q2SN0DSK
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50577912
PNG
(CHEMBL4852661)
Show SMILES Cl.CC(C)c1ccc(CNC(=O)[C@@H]2CCCN(C2)c2cccc(OC(C)(C)C(=O)N3CCNCC3)c2)cc1 |r|
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5.80E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-terminal biotinyla...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00742
BindingDB Entry DOI: 10.7270/Q2SN0DSK
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50577927
PNG
(CHEMBL4876911)
Show SMILES Cl.CC(C)(Oc1cccc(c1)N1CCC[C@H](C1)C(=O)N(Cc1ccc(cc1)-c1ccn[nH]1)C1CC1)C(=O)N1CCNCC1 |r|
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8.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-terminal biotinyla...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00742
BindingDB Entry DOI: 10.7270/Q2SN0DSK
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50577925
PNG
(CHEMBL4846565)
Show SMILES Cl.CC(C)(Oc1cccc(c1)N1CCC[C@H](C1)C(=O)N(Cc1ccc(cc1)-c1cn[nH]c1)C1CC1)C(=O)N1CCNCC1 |r|
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8.90E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6-His-tagged beta-catenin R1C domain (138 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-termi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00742
BindingDB Entry DOI: 10.7270/Q2SN0DSK
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50577915
PNG
(CHEMBL4852707)
Show SMILES Cl.CCN(Cc1ccc(cc1)C(C)C)C(=O)[C@@H]1CCCN(C1)c1cccc(OC(C)(C)C(=O)N2CCNCC2)c1 |r|
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1.10E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-terminal biotinyla...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00742
BindingDB Entry DOI: 10.7270/Q2SN0DSK
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50577918
PNG
(CHEMBL4869538)
Show SMILES Cl.CC(C)(C)c1ccc(CN(C2CC2)C(=O)[C@@H]2CCCN(C2)c2cccc(OC(C)(C)C(=O)N3CCNCC3)c2)cc1 |r|
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1.30E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-terminal biotinyla...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00742
BindingDB Entry DOI: 10.7270/Q2SN0DSK
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50577911
PNG
(CHEMBL4862286)
Show SMILES Cl.CC(C)c1ccc(CN(C)C(=O)[C@@H]2CCCN(C2)c2cccc(OC(C)(C)C(=O)N3CCNCC3)c2)cc1 |r|
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1.40E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-terminal biotinyla...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00742
BindingDB Entry DOI: 10.7270/Q2SN0DSK
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50577929
PNG
(CHEMBL4847343)
Show SMILES CN1CCN(CC1)C(=O)C(C)(C)Oc1cccc(c1)N1CCC[C@H](C1)C(=O)N(Cc1ccc(cc1)-c1cn[nH]c1)C1CC1 |r|
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3.20E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-terminal biotinyla...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00742
BindingDB Entry DOI: 10.7270/Q2SN0DSK
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50577926
PNG
(CHEMBL4871689)
Show SMILES Cl.CC(C)(Oc1cccc(c1)N1CCC[C@@H](C1)C(=O)N(Cc1ccc(cc1)-c1cn[nH]c1)C1CC1)C(=O)N1CCNCC1 |r|
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3.20E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-terminal biotinyla...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00742
BindingDB Entry DOI: 10.7270/Q2SN0DSK
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50577930
PNG
(CHEMBL4855433)
Show SMILES CC(C)(Oc1cccc(c1)N1CCC[C@H](C1)C(=O)N(Cc1ccc(cc1)-c1cn[nH]c1)C1CC1)C(=O)N1CCCCC1 |r|
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4.30E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-terminal biotinyla...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00742
BindingDB Entry DOI: 10.7270/Q2SN0DSK
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50577913
PNG
(CHEMBL4873635)
Show SMILES CC(C)c1ccc(CNC(=O)[C@@H]2CCCN(C2)c2cccc(OC(C)(C)C(O)=O)c2)cc1 |r|
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4.60E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-terminal biotinyla...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00742
BindingDB Entry DOI: 10.7270/Q2SN0DSK
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50577922
PNG
(CHEMBL4869034)
Show SMILES Cl.CC(C)(Oc1cccc(c1)N1CCC[C@H](C1)C(=O)N(Cc1ccc(cc1)-c1ccccn1)C1CC1)C(=O)N1CCNCC1 |r|
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5.40E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-terminal biotinyla...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00742
BindingDB Entry DOI: 10.7270/Q2SN0DSK
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50577923
PNG
(CHEMBL4868531)
Show SMILES Cl.CC(C)(Oc1cccc(c1)N1CCC[C@H](C1)C(=O)N(Cc1ccc(cc1)-c1cccnc1)C1CC1)C(=O)N1CCNCC1 |r|
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6.60E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-terminal biotinyla...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00742
BindingDB Entry DOI: 10.7270/Q2SN0DSK
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50577928
PNG
(CHEMBL4864467)
Show SMILES Cl.Cn1cc(cn1)-c1ccc(CN(C2CC2)C(=O)[C@@H]2CCCN(C2)c2cccc(OC(C)(C)C(=O)N3CCNCC3)c2)cc1 |r|
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6.80E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-terminal biotinyla...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00742
BindingDB Entry DOI: 10.7270/Q2SN0DSK
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50577924
PNG
(CHEMBL4858087)
Show SMILES Cl.CC(C)(Oc1cccc(c1)N1CCC[C@H](C1)C(=O)N(Cc1ccc(cc1)-c1ccncc1)C1CC1)C(=O)N1CCNCC1 |r|
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7.40E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-terminal biotinyla...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00742
BindingDB Entry DOI: 10.7270/Q2SN0DSK
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein


(Homo sapiens)
BDBM50577914
PNG
(CHEMBL4868665)
Show SMILES CC(C)c1ccc(CNC(=O)[C@H]2CCCN(C2)c2cccc(OC(C)(C)C(O)=O)c2)cc1 |r|
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>9.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-terminal biotinyla...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00742
BindingDB Entry DOI: 10.7270/Q2SN0DSK
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50454243
PNG
(CHEMBL4211301)
Show SMILES Fc1cccc(c1)-n1cnc2c(NCc3nc4ccccc4s3)nc(nc12)N1CCOCC1
Show InChI InChI=1S/C23H20FN7OS/c24-15-4-3-5-16(12-15)31-14-26-20-21(25-13-19-27-17-6-1-2-7-18(17)33-19)28-23(29-22(20)31)30-8-10-32-11-9-30/h1-7,12,14H,8-11,13H2,(H,25,28,29)
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n/an/a 9n/an/an/an/an/an/a



Scripps Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CK1delta expressed in baculovirus in Sf9 insect cells using ULight-Topo-IIa(Thr1342...


Bioorg Med Chem 26: 590-602 (2018)


Article DOI: 10.1016/j.bmc.2017.12.020
BindingDB Entry DOI: 10.7270/Q2RR21TZ
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50454197
PNG
(CHEMBL4214571)
Show SMILES Fc1ccc(F)c(c1)-n1cnc2c(NCc3nc4c(F)c(F)ccc4[nH]3)nc(nc12)N1CCOCC1
Show InChI InChI=1S/C23H18F4N8O/c24-12-1-2-13(25)16(9-12)35-11-29-20-21(32-23(33-22(20)35)34-5-7-36-8-6-34)28-10-17-30-15-4-3-14(26)18(27)19(15)31-17/h1-4,9,11H,5-8,10H2,(H,30,31)(H,28,32,33)
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Scripps Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CK1delta expressed in baculovirus in Sf9 insect cells using ULight-Topo-IIa(Thr1342...


Bioorg Med Chem 26: 590-602 (2018)


Article DOI: 10.1016/j.bmc.2017.12.020
BindingDB Entry DOI: 10.7270/Q2RR21TZ
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM50454197
PNG
(CHEMBL4214571)
Show SMILES Fc1ccc(F)c(c1)-n1cnc2c(NCc3nc4c(F)c(F)ccc4[nH]3)nc(nc12)N1CCOCC1
Show InChI InChI=1S/C23H18F4N8O/c24-12-1-2-13(25)16(9-12)35-11-29-20-21(32-23(33-22(20)35)34-5-7-36-8-6-34)28-10-17-30-15-4-3-14(26)18(27)19(15)31-17/h1-4,9,11H,5-8,10H2,(H,30,31)(H,28,32,33)
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Scripps Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CK1epsilon expressed in baculovirus in Sf9 insect cells using ULight-Topo-IIa(Thr13...


Bioorg Med Chem 26: 590-602 (2018)


Article DOI: 10.1016/j.bmc.2017.12.020
BindingDB Entry DOI: 10.7270/Q2RR21TZ
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50454270
PNG
(CHEMBL4205929)
Show SMILES Cc1cccc(CNc2nc(nc3n(cnc23)-c2cccc(F)c2)N2CCOCC2)n1
Show InChI InChI=1S/C22H22FN7O/c1-15-4-2-6-17(26-15)13-24-20-19-21(28-22(27-20)29-8-10-31-11-9-29)30(14-25-19)18-7-3-5-16(23)12-18/h2-7,12,14H,8-11,13H2,1H3,(H,24,27,28)
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Scripps Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CK1delta expressed in baculovirus in Sf9 insect cells using ULight-Topo-IIa(Thr1342...


Bioorg Med Chem 26: 590-602 (2018)


Article DOI: 10.1016/j.bmc.2017.12.020
BindingDB Entry DOI: 10.7270/Q2RR21TZ
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50454261
PNG
(CHEMBL4215691)
Show SMILES Fc1cccc(c1)-n1cnc2c(NCc3nc4ccccc4o3)nc(nc12)N1CCOCC1
Show InChI InChI=1S/C23H20FN7O2/c24-15-4-3-5-16(12-15)31-14-26-20-21(25-13-19-27-17-6-1-2-7-18(17)33-19)28-23(29-22(20)31)30-8-10-32-11-9-30/h1-7,12,14H,8-11,13H2,(H,25,28,29)
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Scripps Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CK1delta expressed in baculovirus in Sf9 insect cells using ULight-Topo-IIa(Thr1342...


Bioorg Med Chem 26: 590-602 (2018)


Article DOI: 10.1016/j.bmc.2017.12.020
BindingDB Entry DOI: 10.7270/Q2RR21TZ
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50454220
PNG
(CHEMBL4211454)
Show SMILES Fc1cccc(c1)-n1cnc2c(NCc3nc4c(F)c(F)ccc4[nH]3)nc(nc12)N1CCOCC1
Show InChI InChI=1S/C23H19F3N8O/c24-13-2-1-3-14(10-13)34-12-28-20-21(31-23(32-22(20)34)33-6-8-35-9-7-33)27-11-17-29-16-5-4-15(25)18(26)19(16)30-17/h1-5,10,12H,6-9,11H2,(H,29,30)(H,27,31,32)
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Scripps Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CK1delta expressed in baculovirus in Sf9 insect cells using ULight-Topo-IIa(Thr1342...


Bioorg Med Chem 26: 590-602 (2018)


Article DOI: 10.1016/j.bmc.2017.12.020
BindingDB Entry DOI: 10.7270/Q2RR21TZ
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50454231
PNG
(CHEMBL4203268)
Show SMILES CN1CCN(CC1)c1nc(NCc2nc3c(F)c(F)ccc3[nH]2)c2ncn(-c3ccsc3)c2n1
Show InChI InChI=1S/C22H21F2N9S/c1-31-5-7-32(8-6-31)22-29-20(19-21(30-22)33(12-26-19)13-4-9-34-11-13)25-10-16-27-15-3-2-14(23)17(24)18(15)28-16/h2-4,9,11-12H,5-8,10H2,1H3,(H,27,28)(H,25,29,30)
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Scripps Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CK1delta expressed in baculovirus in Sf9 insect cells using ULight-Topo-IIa(Thr1342...


Bioorg Med Chem 26: 590-602 (2018)


Article DOI: 10.1016/j.bmc.2017.12.020
BindingDB Entry DOI: 10.7270/Q2RR21TZ
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50454229
PNG
(CHEMBL4203375)
Show SMILES Fc1cccc(c1F)-n1cnc2c(NCc3nc4c(F)c(F)ccc4[nH]3)nc(nc12)N1CCOCC1
Show InChI InChI=1S/C23H18F4N8O/c24-12-2-1-3-15(17(12)26)35-11-29-20-21(32-23(33-22(20)35)34-6-8-36-9-7-34)28-10-16-30-14-5-4-13(25)18(27)19(14)31-16/h1-5,11H,6-10H2,(H,30,31)(H,28,32,33)
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Scripps Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CK1delta expressed in baculovirus in Sf9 insect cells using ULight-Topo-IIa(Thr1342...


Bioorg Med Chem 26: 590-602 (2018)


Article DOI: 10.1016/j.bmc.2017.12.020
BindingDB Entry DOI: 10.7270/Q2RR21TZ
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM50454251
PNG
(CHEMBL4209917)
Show SMILES OCC1CCN(CC1)c1nc(NCc2nc3c(F)c(F)ccc3[nH]2)c2ncn(-c3cccc(F)c3)c2n1
Show InChI InChI=1S/C25H23F3N8O/c26-15-2-1-3-16(10-15)36-13-30-22-23(29-11-19-31-18-5-4-17(27)20(28)21(18)32-19)33-25(34-24(22)36)35-8-6-14(12-37)7-9-35/h1-5,10,13-14,37H,6-9,11-12H2,(H,31,32)(H,29,33,34)
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Scripps Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CK1epsilon expressed in baculovirus in Sf9 insect cells using ULight-Topo-IIa(Thr13...


Bioorg Med Chem 26: 590-602 (2018)


Article DOI: 10.1016/j.bmc.2017.12.020
BindingDB Entry DOI: 10.7270/Q2RR21TZ
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50454240
PNG
(CHEMBL4218827)
Show SMILES Clc1cc2nc(CNc3nc(nc4n(cnc34)-c3cccnc3)N3CCOCC3)[nH]c2cc1Cl
Show InChI InChI=1S/C22H19Cl2N9O/c23-14-8-16-17(9-15(14)24)29-18(28-16)11-26-20-19-21(31-22(30-20)32-4-6-34-7-5-32)33(12-27-19)13-2-1-3-25-10-13/h1-3,8-10,12H,4-7,11H2,(H,28,29)(H,26,30,31)
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Scripps Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CK1delta expressed in baculovirus in Sf9 insect cells using ULight-Topo-IIa(Thr1342...


Bioorg Med Chem 26: 590-602 (2018)


Article DOI: 10.1016/j.bmc.2017.12.020
BindingDB Entry DOI: 10.7270/Q2RR21TZ
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50454222
PNG
(CHEMBL4211222)
Show SMILES CN1CCN(CC1)c1ccc(CNc2nc(nc3n(cnc23)-c2cccc(F)c2)N2CCOCC2)nc1
Show InChI InChI=1S/C26H30FN9O/c1-33-7-9-34(10-8-33)22-6-5-20(28-17-22)16-29-24-23-25(32-26(31-24)35-11-13-37-14-12-35)36(18-30-23)21-4-2-3-19(27)15-21/h2-6,15,17-18H,7-14,16H2,1H3,(H,29,31,32)
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Scripps Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CK1delta expressed in baculovirus in Sf9 insect cells using ULight-Topo-IIa(Thr1342...


Bioorg Med Chem 26: 590-602 (2018)


Article DOI: 10.1016/j.bmc.2017.12.020
BindingDB Entry DOI: 10.7270/Q2RR21TZ
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50454256
PNG
(CHEMBL4207079)
Show SMILES Fc1cc(F)cc(c1)-n1cnc2c(NCc3nc4c(F)c(F)ccc4[nH]3)nc(nc12)N1CCOCC1
Show InChI InChI=1S/C23H18F4N8O/c24-12-7-13(25)9-14(8-12)35-11-29-20-21(32-23(33-22(20)35)34-3-5-36-6-4-34)28-10-17-30-16-2-1-15(26)18(27)19(16)31-17/h1-2,7-9,11H,3-6,10H2,(H,30,31)(H,28,32,33)
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Scripps Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CK1delta expressed in baculovirus in Sf9 insect cells using ULight-Topo-IIa(Thr1342...


Bioorg Med Chem 26: 590-602 (2018)


Article DOI: 10.1016/j.bmc.2017.12.020
BindingDB Entry DOI: 10.7270/Q2RR21TZ
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50454257
PNG
(CHEMBL4206247)
Show SMILES Fc1ccc2[nH]c(CNc3nc(nc4n(cnc34)-c3ccsc3)N3CCOCC3)nc2c1F
Show InChI InChI=1S/C21H18F2N8OS/c22-13-1-2-14-17(16(13)23)27-15(26-14)9-24-19-18-20(31(11-25-18)12-3-8-33-10-12)29-21(28-19)30-4-6-32-7-5-30/h1-3,8,10-11H,4-7,9H2,(H,26,27)(H,24,28,29)
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Scripps Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CK1delta expressed in baculovirus in Sf9 insect cells using ULight-Topo-IIa(Thr1342...


Bioorg Med Chem 26: 590-602 (2018)


Article DOI: 10.1016/j.bmc.2017.12.020
BindingDB Entry DOI: 10.7270/Q2RR21TZ
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM50454222
PNG
(CHEMBL4211222)
Show SMILES CN1CCN(CC1)c1ccc(CNc2nc(nc3n(cnc23)-c2cccc(F)c2)N2CCOCC2)nc1
Show InChI InChI=1S/C26H30FN9O/c1-33-7-9-34(10-8-33)22-6-5-20(28-17-22)16-29-24-23-25(32-26(31-24)35-11-13-37-14-12-35)36(18-30-23)21-4-2-3-19(27)15-21/h2-6,15,17-18H,7-14,16H2,1H3,(H,29,31,32)
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Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CK1epsilon expressed in baculovirus in Sf9 insect cells using ULight-Topo-IIa(Thr13...


Bioorg Med Chem 26: 590-602 (2018)


Article DOI: 10.1016/j.bmc.2017.12.020
BindingDB Entry DOI: 10.7270/Q2RR21TZ
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50454248
PNG
(CHEMBL4211791)
Show SMILES Nc1nc(NCc2nc3c(F)c(F)ccc3[nH]2)c2ncn(-c3cccc(F)c3)c2n1
Show InChI InChI=1S/C19H13F3N8/c20-9-2-1-3-10(6-9)30-8-25-16-17(28-19(23)29-18(16)30)24-7-13-26-12-5-4-11(21)14(22)15(12)27-13/h1-6,8H,7H2,(H,26,27)(H3,23,24,28,29)
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Scripps Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CK1delta expressed in baculovirus in Sf9 insect cells using ULight-Topo-IIa(Thr1342...


Bioorg Med Chem 26: 590-602 (2018)


Article DOI: 10.1016/j.bmc.2017.12.020
BindingDB Entry DOI: 10.7270/Q2RR21TZ
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50454251
PNG
(CHEMBL4209917)
Show SMILES OCC1CCN(CC1)c1nc(NCc2nc3c(F)c(F)ccc3[nH]2)c2ncn(-c3cccc(F)c3)c2n1
Show InChI InChI=1S/C25H23F3N8O/c26-15-2-1-3-16(10-15)36-13-30-22-23(29-11-19-31-18-5-4-17(27)20(28)21(18)32-19)33-25(34-24(22)36)35-8-6-14(12-37)7-9-35/h1-5,10,13-14,37H,6-9,11-12H2,(H,31,32)(H,29,33,34)
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Scripps Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CK1delta expressed in baculovirus in Sf9 insect cells using ULight-Topo-IIa(Thr1342...


Bioorg Med Chem 26: 590-602 (2018)


Article DOI: 10.1016/j.bmc.2017.12.020
BindingDB Entry DOI: 10.7270/Q2RR21TZ
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50454219
PNG
(CHEMBL4215056)
Show SMILES OCCNc1nc(NCc2nc3c(F)c(F)ccc3[nH]2)c2ncn(-c3cccc(F)c3)c2n1
Show InChI InChI=1S/C21H17F3N8O/c22-11-2-1-3-12(8-11)32-10-27-18-19(30-21(25-6-7-33)31-20(18)32)26-9-15-28-14-5-4-13(23)16(24)17(14)29-15/h1-5,8,10,33H,6-7,9H2,(H,28,29)(H2,25,26,30,31)
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Scripps Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CK1delta expressed in baculovirus in Sf9 insect cells using ULight-Topo-IIa(Thr1342...


Bioorg Med Chem 26: 590-602 (2018)


Article DOI: 10.1016/j.bmc.2017.12.020
BindingDB Entry DOI: 10.7270/Q2RR21TZ
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50454208
PNG
(CHEMBL4212710)
Show SMILES Cc1ccc(CNc2nc(nc3n(cnc23)-c2cccc(F)c2)N2CCOCC2)nc1
Show InChI InChI=1S/C22H22FN7O/c1-15-5-6-17(24-12-15)13-25-20-19-21(28-22(27-20)29-7-9-31-10-8-29)30(14-26-19)18-4-2-3-16(23)11-18/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,27,28)
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Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CK1delta expressed in baculovirus in Sf9 insect cells using ULight-Topo-IIa(Thr1342...


Bioorg Med Chem 26: 590-602 (2018)


Article DOI: 10.1016/j.bmc.2017.12.020
BindingDB Entry DOI: 10.7270/Q2RR21TZ
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50454260
PNG
(CHEMBL4209206)
Show SMILES Clc1cc2nc(CNc3nc(nc4n(cnc34)-c3cccnc3)N3CCNCC3)[nH]c2cc1Cl
Show InChI InChI=1S/C22H20Cl2N10/c23-14-8-16-17(9-15(14)24)30-18(29-16)11-27-20-19-21(32-22(31-20)33-6-4-25-5-7-33)34(12-28-19)13-2-1-3-26-10-13/h1-3,8-10,12,25H,4-7,11H2,(H,29,30)(H,27,31,32)
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Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CK1delta expressed in baculovirus in Sf9 insect cells using ULight-Topo-IIa(Thr1342...


Bioorg Med Chem 26: 590-602 (2018)


Article DOI: 10.1016/j.bmc.2017.12.020
BindingDB Entry DOI: 10.7270/Q2RR21TZ
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM50454229
PNG
(CHEMBL4203375)
Show SMILES Fc1cccc(c1F)-n1cnc2c(NCc3nc4c(F)c(F)ccc4[nH]3)nc(nc12)N1CCOCC1
Show InChI InChI=1S/C23H18F4N8O/c24-12-2-1-3-15(17(12)26)35-11-29-20-21(32-23(33-22(20)35)34-6-8-36-9-7-34)28-10-16-30-14-5-4-13(25)18(27)19(14)31-16/h1-5,11H,6-10H2,(H,30,31)(H,28,32,33)
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Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CK1epsilon expressed in baculovirus in Sf9 insect cells using ULight-Topo-IIa(Thr13...


Bioorg Med Chem 26: 590-602 (2018)


Article DOI: 10.1016/j.bmc.2017.12.020
BindingDB Entry DOI: 10.7270/Q2RR21TZ
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50454265
PNG
(CHEMBL4217233)
Show SMILES Fc1cccc(c1)-n1cnc2c(NCc3ccccn3)nc(nc12)N1CCOCC1
Show InChI InChI=1S/C21H20FN7O/c22-15-4-3-6-17(12-15)29-14-25-18-19(24-13-16-5-1-2-7-23-16)26-21(27-20(18)29)28-8-10-30-11-9-28/h1-7,12,14H,8-11,13H2,(H,24,26,27)
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n/an/a 85n/an/an/an/an/an/a



Scripps Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CK1delta expressed in baculovirus in Sf9 insect cells using ULight-Topo-IIa(Thr1342...


Bioorg Med Chem 26: 590-602 (2018)


Article DOI: 10.1016/j.bmc.2017.12.020
BindingDB Entry DOI: 10.7270/Q2RR21TZ
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50454247
PNG
(CHEMBL4208025)
Show SMILES Fc1cccc(c1)-n1cnc2c(NCc3ccccc3F)nc(nc12)N1CCOCC1
Show InChI InChI=1S/C22H20F2N6O/c23-16-5-3-6-17(12-16)30-14-26-19-20(25-13-15-4-1-2-7-18(15)24)27-22(28-21(19)30)29-8-10-31-11-9-29/h1-7,12,14H,8-11,13H2,(H,25,27,28)
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Scripps Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CK1delta expressed in baculovirus in Sf9 insect cells using ULight-Topo-IIa(Thr1342...


Bioorg Med Chem 26: 590-602 (2018)


Article DOI: 10.1016/j.bmc.2017.12.020
BindingDB Entry DOI: 10.7270/Q2RR21TZ
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50454246
PNG
(CHEMBL4212255)
Show SMILES Fc1cccc(c1)-n1cnc2c(NCc3cccnc3)nc(nc12)N1CCOCC1
Show InChI InChI=1S/C21H20FN7O/c22-16-4-1-5-17(11-16)29-14-25-18-19(24-13-15-3-2-6-23-12-15)26-21(27-20(18)29)28-7-9-30-10-8-28/h1-6,11-12,14H,7-10,13H2,(H,24,26,27)
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n/an/a 98n/an/an/an/an/an/a



Scripps Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CK1delta expressed in baculovirus in Sf9 insect cells using ULight-Topo-IIa(Thr1342...


Bioorg Med Chem 26: 590-602 (2018)


Article DOI: 10.1016/j.bmc.2017.12.020
BindingDB Entry DOI: 10.7270/Q2RR21TZ
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50454221
PNG
(CHEMBL4211678)
Show SMILES CN1CCN(CC1)c1nc(NCc2nc3cc(Cl)c(Cl)cc3[nH]2)c2ncn(-c3cccnc3)c2n1
Show InChI InChI=1S/C23H22Cl2N10/c1-33-5-7-34(8-6-33)23-31-21(20-22(32-23)35(13-28-20)14-3-2-4-26-11-14)27-12-19-29-17-9-15(24)16(25)10-18(17)30-19/h2-4,9-11,13H,5-8,12H2,1H3,(H,29,30)(H,27,31,32)
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n/an/a 100n/an/an/an/an/an/a



Scripps Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CK1delta expressed in baculovirus in Sf9 insect cells using ULight-Topo-IIa(Thr1342...


Bioorg Med Chem 26: 590-602 (2018)


Article DOI: 10.1016/j.bmc.2017.12.020
BindingDB Entry DOI: 10.7270/Q2RR21TZ
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM50454257
PNG
(CHEMBL4206247)
Show SMILES Fc1ccc2[nH]c(CNc3nc(nc4n(cnc34)-c3ccsc3)N3CCOCC3)nc2c1F
Show InChI InChI=1S/C21H18F2N8OS/c22-13-1-2-14-17(16(13)23)27-15(26-14)9-24-19-18-20(31(11-25-18)12-3-8-33-10-12)29-21(28-19)30-4-6-32-7-5-30/h1-3,8,10-11H,4-7,9H2,(H,26,27)(H,24,28,29)
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n/an/a 105n/an/an/an/an/an/a



Scripps Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CK1epsilon expressed in baculovirus in Sf9 insect cells using ULight-Topo-IIa(Thr13...


Bioorg Med Chem 26: 590-602 (2018)


Article DOI: 10.1016/j.bmc.2017.12.020
BindingDB Entry DOI: 10.7270/Q2RR21TZ
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM50454240
PNG
(CHEMBL4218827)
Show SMILES Clc1cc2nc(CNc3nc(nc4n(cnc34)-c3cccnc3)N3CCOCC3)[nH]c2cc1Cl
Show InChI InChI=1S/C22H19Cl2N9O/c23-14-8-16-17(9-15(14)24)29-18(28-16)11-26-20-19-21(31-22(30-20)32-4-6-34-7-5-32)33(12-27-19)13-2-1-3-25-10-13/h1-3,8-10,12H,4-7,11H2,(H,28,29)(H,26,30,31)
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antibodypedia
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n/an/a 105n/an/an/an/an/an/a



Scripps Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CK1epsilon expressed in baculovirus in Sf9 insect cells using ULight-Topo-IIa(Thr13...


Bioorg Med Chem 26: 590-602 (2018)


Article DOI: 10.1016/j.bmc.2017.12.020
BindingDB Entry DOI: 10.7270/Q2RR21TZ
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50454214
PNG
(CHEMBL4217142)
Show SMILES Cc1ccccc1-n1cnc2c(NCc3nc4c(F)c(F)ccc4[nH]3)nc(nc12)N1CCOCC1
Show InChI InChI=1S/C24H22F2N8O/c1-14-4-2-3-5-17(14)34-13-28-21-22(31-24(32-23(21)34)33-8-10-35-11-9-33)27-12-18-29-16-7-6-15(25)19(26)20(16)30-18/h2-7,13H,8-12H2,1H3,(H,29,30)(H,27,31,32)
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n/an/a 110n/an/an/an/an/an/a



Scripps Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CK1delta expressed in baculovirus in Sf9 insect cells using ULight-Topo-IIa(Thr1342...


Bioorg Med Chem 26: 590-602 (2018)


Article DOI: 10.1016/j.bmc.2017.12.020
BindingDB Entry DOI: 10.7270/Q2RR21TZ
More data for this
Ligand-Target Pair
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