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Compile Data Set for Download or QSAR

Found 96 hits with Last Name = 'mariotto' and Initial = 'e'   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/a 1.5n/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) by bioluminescent ADP-glo kinase assay


J Med Chem 62: 1274-1290 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01391
BindingDB Entry DOI: 10.7270/Q2SQ93RH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50517548
PNG
(CHEMBL4460381)
Show SMILES COc1cc(Nc2ncnc3cc(sc23)-c2cccs2)cc(OC)c1OC
Show InChI InChI=1S/C19H17N3O3S2/c1-23-13-7-11(8-14(24-2)17(13)25-3)22-19-18-12(20-10-21-19)9-16(27-18)15-5-4-6-26-15/h4-10H,1-3H3,(H,20,21,22)
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n/an/a 2.5n/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) by bioluminescent ADP-glo kinase assay


J Med Chem 62: 1274-1290 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01391
BindingDB Entry DOI: 10.7270/Q2SQ93RH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50137185
PNG
((1H-Indol-5-yl)-(6-phenyl-thieno[3,2-d]pyrimidin-4...)
Show SMILES N(c1ccc2[nH]ccc2c1)c1ncnc2cc(sc12)-c1ccccc1
Show InChI InChI=1S/C20H14N4S/c1-2-4-13(5-3-1)18-11-17-19(25-18)20(23-12-22-17)24-15-6-7-16-14(10-15)8-9-21-16/h1-12,21H,(H,22,23,24)
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n/an/a 3n/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)


J Med Chem 62: 1274-1290 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01391
BindingDB Entry DOI: 10.7270/Q2SQ93RH
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


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


(Homo sapiens (Human))
BDBM50517546
PNG
(CHEMBL4473768)
Show SMILES COc1cc(Nc2ncnc3cc(sc23)-c2ccc(I)cc2)cc(OC)c1OC
Show InChI InChI=1S/C21H18IN3O3S/c1-26-16-8-14(9-17(27-2)19(16)28-3)25-21-20-15(23-11-24-21)10-18(29-20)12-4-6-13(22)7-5-12/h4-11H,1-3H3,(H,23,24,25)
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n/an/a 10n/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) by bioluminescent ADP-glo kinase assay


J Med Chem 62: 1274-1290 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01391
BindingDB Entry DOI: 10.7270/Q2SQ93RH
More data for this
Ligand-Target Pair
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)
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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
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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)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50517547
PNG
(CHEMBL4541014)
Show SMILES COc1cc(Nc2ncnc3cc(sc23)-c2ccccc2)cc(OC)c1OC
Show InChI InChI=1S/C21H19N3O3S/c1-25-16-9-14(10-17(26-2)19(16)27-3)24-21-20-15(22-12-23-21)11-18(28-20)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,22,23,24)
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n/an/a 23n/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) by bioluminescent ADP-glo kinase assay


J Med Chem 62: 1274-1290 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01391
BindingDB Entry DOI: 10.7270/Q2SQ93RH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50517542
PNG
(CHEMBL4569885)
Show SMILES COc1cc(Nc2ncnc3cc(sc23)-c2ccc(C)cc2)cc(OC)c1OC
Show InChI InChI=1S/C22H21N3O3S/c1-13-5-7-14(8-6-13)19-11-16-21(29-19)22(24-12-23-16)25-15-9-17(26-2)20(28-4)18(10-15)27-3/h5-12H,1-4H3,(H,23,24,25)
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Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) by bioluminescent ADP-glo kinase assay


J Med Chem 62: 1274-1290 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01391
BindingDB Entry DOI: 10.7270/Q2SQ93RH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50517545
PNG
(CHEMBL4546122)
Show SMILES COc1ccc(cc1)-c1cc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)c2s1
Show InChI InChI=1S/C22H21N3O4S/c1-26-15-7-5-13(6-8-15)19-11-16-21(30-19)22(24-12-23-16)25-14-9-17(27-2)20(29-4)18(10-14)28-3/h5-12H,1-4H3,(H,23,24,25)
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n/an/a 52n/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) by bioluminescent ADP-glo kinase assay


J Med Chem 62: 1274-1290 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01391
BindingDB Entry DOI: 10.7270/Q2SQ93RH
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50137185
PNG
((1H-Indol-5-yl)-(6-phenyl-thieno[3,2-d]pyrimidin-4...)
Show SMILES N(c1ccc2[nH]ccc2c1)c1ncnc2cc(sc12)-c1ccccc1
Show InChI InChI=1S/C20H14N4S/c1-2-4-13(5-3-1)18-11-17-19(25-18)20(23-12-22-17)24-15-6-7-16-14(10-15)8-9-21-16/h1-12,21H,(H,22,23,24)
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n/an/a 80n/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


J Med Chem 62: 1274-1290 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01391
BindingDB Entry DOI: 10.7270/Q2SQ93RH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50137204
PNG
((2-Methyl-1H-indol-5-yl)-(6-phenyl-thieno[3,2-d]py...)
Show SMILES Cc1cc2cc(Nc3ncnc4cc(sc34)-c3ccccc3)ccc2[nH]1
Show InChI InChI=1S/C21H16N4S/c1-13-9-15-10-16(7-8-17(15)24-13)25-21-20-18(22-12-23-21)11-19(26-20)14-5-3-2-4-6-14/h2-12,24H,1H3,(H,22,23,25)
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n/an/a 100n/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)


J Med Chem 62: 1274-1290 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01391
BindingDB Entry DOI: 10.7270/Q2SQ93RH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 140n/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) by bioluminescent ADP-glo kinase assay


J Med Chem 62: 1274-1290 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01391
BindingDB Entry DOI: 10.7270/Q2SQ93RH
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50137204
PNG
((2-Methyl-1H-indol-5-yl)-(6-phenyl-thieno[3,2-d]py...)
Show SMILES Cc1cc2cc(Nc3ncnc4cc(sc34)-c3ccccc3)ccc2[nH]1
Show InChI InChI=1S/C21H16N4S/c1-13-9-15-10-16(7-8-17(15)24-13)25-21-20-18(22-12-23-21)11-19(26-20)14-5-3-2-4-6-14/h2-12,24H,1H3,(H,22,23,25)
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n/an/a 140n/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


J Med Chem 62: 1274-1290 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01391
BindingDB Entry DOI: 10.7270/Q2SQ93RH
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
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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
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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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50517544
PNG
(CHEMBL4552482)
Show SMILES COc1cc(Nc2ncnc3cc(sc23)-c2ccc(Cl)cc2)cc(OC)c1OC
Show InChI InChI=1S/C21H18ClN3O3S/c1-26-16-8-14(9-17(27-2)19(16)28-3)25-21-20-15(23-11-24-21)10-18(29-20)12-4-6-13(22)7-5-12/h4-11H,1-3H3,(H,23,24,25)
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n/an/a 273n/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) by bioluminescent ADP-glo kinase assay


J Med Chem 62: 1274-1290 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01391
BindingDB Entry DOI: 10.7270/Q2SQ93RH
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
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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
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50528631
PNG
(CHEMBL4526719)
Show SMILES COc1cc(cc(OC)c1OC)-c1n[nH]cc1-c1cc2ccccc2s1
Show InChI InChI=1S/C20H18N2O3S/c1-23-15-8-13(9-16(24-2)20(15)25-3)19-14(11-21-22-19)18-10-12-6-4-5-7-17(12)26-18/h4-11H,1-3H3,(H,21,22)
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n/an/a 300n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assembly using GTP as substrate incubated for 20 mins by spectrophotometric method


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111577
BindingDB Entry DOI: 10.7270/Q2HQ43C6
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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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))
BDBM50563706
PNG
(CHEMBL4776464)
Show SMILES CCNC(=O)c1cnc(N)n2nc(nc12)-c1cccc(O)c1
PDB

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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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50517543
PNG
(CHEMBL4572443)
Show SMILES COc1cc(Nc2ncnc3cc(sc23)-c2ccc(Br)cc2)cc(OC)c1OC
Show InChI InChI=1S/C21H18BrN3O3S/c1-26-16-8-14(9-17(27-2)19(16)28-3)25-21-20-15(23-11-24-21)10-18(29-20)12-4-6-13(22)7-5-12/h4-11H,1-3H3,(H,23,24,25)
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n/an/a 326n/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) by bioluminescent ADP-glo kinase assay


J Med Chem 62: 1274-1290 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01391
BindingDB Entry DOI: 10.7270/Q2SQ93RH
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50528630
PNG
(CHEMBL4440494)
Show SMILES COc1ccc(cc1)-c1n[nH]cc1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C19H20N2O4/c1-22-14-7-5-12(6-8-14)18-15(11-20-21-18)13-9-16(23-2)19(25-4)17(10-13)24-3/h5-11H,1-4H3,(H,20,21)
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n/an/a 340n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assembly using GTP as substrate incubated for 20 mins by spectrophotometric method


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111577
BindingDB Entry DOI: 10.7270/Q2HQ43C6
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50528642
PNG
(CHEMBL4447541)
Show SMILES CCOc1ccc(cc1)-c1n[nH]cc1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C20H22N2O4/c1-5-26-15-8-6-13(7-9-15)19-16(12-21-22-19)14-10-17(23-2)20(25-4)18(11-14)24-3/h6-12H,5H2,1-4H3,(H,21,22)
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n/an/a 350n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assembly using GTP as substrate incubated for 20 mins by spectrophotometric method


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111577
BindingDB Entry DOI: 10.7270/Q2HQ43C6
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50528635
PNG
(CHEMBL4473254)
Show SMILES CCOc1ccc(cc1)-c1c[nH]nc1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C20H22N2O4/c1-5-26-15-8-6-13(7-9-15)16-12-21-22-19(16)14-10-17(23-2)20(25-4)18(11-14)24-3/h6-12H,5H2,1-4H3,(H,21,22)
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n/an/a 360n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assembly using GTP as substrate incubated for 20 mins by spectrophotometric method


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111577
BindingDB Entry DOI: 10.7270/Q2HQ43C6
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50528638
PNG
(CHEMBL4442113)
Show SMILES COc1cc(cc(OC)c1OC)-c1n[nH]cc1-c1ccc(C)cc1
Show InChI InChI=1S/C19H20N2O3/c1-12-5-7-13(8-6-12)15-11-20-21-18(15)14-9-16(22-2)19(24-4)17(10-14)23-3/h5-11H,1-4H3,(H,20,21)
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n/an/a 370n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assembly using GTP as substrate incubated for 20 mins by spectrophotometric method


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111577
BindingDB Entry DOI: 10.7270/Q2HQ43C6
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50528629
PNG
(CHEMBL4524533)
Show SMILES COc1ccc(cc1)-c1c[nH]nc1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C19H20N2O4/c1-22-14-7-5-12(6-8-14)15-11-20-21-18(15)13-9-16(23-2)19(25-4)17(10-13)24-3/h5-11H,1-4H3,(H,20,21)
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n/an/a 370n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assembly using GTP as substrate incubated for 20 mins by spectrophotometric method


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111577
BindingDB Entry DOI: 10.7270/Q2HQ43C6
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50528636
PNG
(CHEMBL4464909)
Show SMILES CCOc1ccc(cc1Cl)-c1c[nH]nc1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C20H21ClN2O4/c1-5-27-16-7-6-12(8-15(16)21)14-11-22-23-19(14)13-9-17(24-2)20(26-4)18(10-13)25-3/h6-11H,5H2,1-4H3,(H,22,23)
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n/an/a 390n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assembly using GTP as substrate incubated for 20 mins by spectrophotometric method


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111577
BindingDB Entry DOI: 10.7270/Q2HQ43C6
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50528641
PNG
(CHEMBL4436465)
Show SMILES COc1cc(cc(OC)c1OC)-c1n[nH]cc1-c1ccc2ccccc2c1
Show InChI InChI=1S/C22H20N2O3/c1-25-19-11-17(12-20(26-2)22(19)27-3)21-18(13-23-24-21)16-9-8-14-6-4-5-7-15(14)10-16/h4-13H,1-3H3,(H,23,24)
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n/an/a 410n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assembly using GTP as substrate incubated for 20 mins by spectrophotometric method


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111577
BindingDB Entry DOI: 10.7270/Q2HQ43C6
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50528633
PNG
(CHEMBL4522990)
Show SMILES COc1ccc(cc1F)-c1c[nH]nc1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C19H19FN2O4/c1-23-15-6-5-11(7-14(15)20)13-10-21-22-18(13)12-8-16(24-2)19(26-4)17(9-12)25-3/h5-10H,1-4H3,(H,21,22)
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n/an/a 420n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assembly using GTP as substrate incubated for 20 mins by spectrophotometric method


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111577
BindingDB Entry DOI: 10.7270/Q2HQ43C6
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50528634
PNG
(CHEMBL4554434)
Show SMILES COc1ccc(cc1C)-c1c[nH]nc1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C20H22N2O4/c1-12-8-13(6-7-16(12)23-2)15-11-21-22-19(15)14-9-17(24-3)20(26-5)18(10-14)25-4/h6-11H,1-5H3,(H,21,22)
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n/an/a 440n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assembly using GTP as substrate incubated for 20 mins by spectrophotometric method


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111577
BindingDB Entry DOI: 10.7270/Q2HQ43C6
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
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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
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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
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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
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50528644
PNG
(CHEMBL4449830)
Show SMILES CCSc1ccc(cc1)-c1c[nH]nc1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C20H22N2O3S/c1-5-26-15-8-6-13(7-9-15)16-12-21-22-19(16)14-10-17(23-2)20(25-4)18(11-14)24-3/h6-12H,5H2,1-4H3,(H,21,22)
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n/an/a 480n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assembly using GTP as substrate incubated for 20 mins by spectrophotometric method


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111577
BindingDB Entry DOI: 10.7270/Q2HQ43C6
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50528640
PNG
(CHEMBL4551856)
Show SMILES COc1cc(cc(OC)c1OC)-c1n[nH]cc1-c1ccc(C)c(F)c1
Show InChI InChI=1S/C19H19FN2O3/c1-11-5-6-12(7-15(11)20)14-10-21-22-18(14)13-8-16(23-2)19(25-4)17(9-13)24-3/h5-10H,1-4H3,(H,21,22)
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n/an/a 480n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assembly using GTP as substrate incubated for 20 mins by spectrophotometric method


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111577
BindingDB Entry DOI: 10.7270/Q2HQ43C6
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50528645
PNG
(CHEMBL4451991)
Show SMILES COc1ccc(cc1Cl)-c1c[nH]nc1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C19H19ClN2O4/c1-23-15-6-5-11(7-14(15)20)13-10-21-22-18(13)12-8-16(24-2)19(26-4)17(9-12)25-3/h5-10H,1-4H3,(H,21,22)
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n/an/a 520n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assembly using GTP as substrate incubated for 20 mins by spectrophotometric method


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111577
BindingDB Entry DOI: 10.7270/Q2HQ43C6
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50528639
PNG
(CHEMBL4525021)
Show SMILES CCc1ccc(cc1)-c1c[nH]nc1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C20H22N2O3/c1-5-13-6-8-14(9-7-13)16-12-21-22-19(16)15-10-17(23-2)20(25-4)18(11-15)24-3/h6-12H,5H2,1-4H3,(H,21,22)
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n/an/a 520n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assembly using GTP as substrate incubated for 20 mins by spectrophotometric method


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111577
BindingDB Entry DOI: 10.7270/Q2HQ43C6
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

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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
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50005480
PNG
((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-
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n/an/a 540n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assembly using GTP as substrate incubated for 20 mins by spectrophotometric method


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111577
BindingDB Entry DOI: 10.7270/Q2HQ43C6
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50528637
PNG
(CHEMBL4541938)
Show SMILES COc1cc(cc(OC)c1OC)-c1c[nH]nc1-c1ccc(C)cc1
Show InChI InChI=1S/C19H20N2O3/c1-12-5-7-13(8-6-12)18-15(11-20-21-18)14-9-16(22-2)19(24-4)17(10-14)23-3/h5-11H,1-4H3,(H,20,21)
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n/an/a 570n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assembly using GTP as substrate incubated for 20 mins by spectrophotometric method


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111577
BindingDB Entry DOI: 10.7270/Q2HQ43C6
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50528643
PNG
(CHEMBL4533893)
Show SMILES COc1cc(cc(OC)c1OC)-c1n[nH]cc1-c1ccc(SC)cc1
Show InChI InChI=1S/C19H20N2O3S/c1-22-16-9-13(10-17(23-2)19(16)24-3)18-15(11-20-21-18)12-5-7-14(25-4)8-6-12/h5-11H,1-4H3,(H,20,21)
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n/an/a 570n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assembly using GTP as substrate incubated for 20 mins by spectrophotometric method


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111577
BindingDB Entry DOI: 10.7270/Q2HQ43C6
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50528632
PNG
(CHEMBL4459196)
Show SMILES COc1cc(cc(OC)c1OC)-c1n[nH]cc1-c1ccc(C)c(C)c1
Show InChI InChI=1S/C20H22N2O3/c1-12-6-7-14(8-13(12)2)16-11-21-22-19(16)15-9-17(23-3)20(25-5)18(10-15)24-4/h6-11H,1-5H3,(H,21,22)
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n/an/a 610n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assembly using GTP as substrate incubated for 20 mins by spectrophotometric method


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111577
BindingDB Entry DOI: 10.7270/Q2HQ43C6
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

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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
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50517542
PNG
(CHEMBL4569885)
Show SMILES COc1cc(Nc2ncnc3cc(sc23)-c2ccc(C)cc2)cc(OC)c1OC
Show InChI InChI=1S/C22H21N3O3S/c1-13-5-7-14(8-6-13)19-11-16-21(29-19)22(24-12-23-16)25-15-9-17(26-2)20(28-4)18(10-15)27-3/h5-12H,1-4H3,(H,23,24,25)
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n/an/a 710n/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization after 20 mins


J Med Chem 62: 1274-1290 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01391
BindingDB Entry DOI: 10.7270/Q2SQ93RH
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

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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

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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
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