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3 similar compounds to monomer 50400750

Compile data set for download or QSAR
Wt: 368.3
BDBM50400745
Wt: 368.3
BDBM50400747
Wt: 364.3
BDBM50400751

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50400745,50400747,50400751   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50400745
PNG
(CHEMBL2203559)
Show SMILES COc1cnc(COc2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C19H17FN4O3/c1-26-16-9-22-17(10-27-12-4-2-11(20)3-5-12)24-18(16)15-8-13-14(23-15)6-7-21-19(13)25/h2-5,8-9,23H,6-7,10H2,1H3,(H,21,25)
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n/an/a 146n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-alpha using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 8 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50400747
PNG
(CHEMBL2203557)
Show SMILES COc1cnc(OCc2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C19H17FN4O3/c1-26-16-9-22-19(27-10-11-2-4-12(20)5-3-11)24-17(16)15-8-13-14(23-15)6-7-21-18(13)25/h2-5,8-9,23H,6-7,10H2,1H3,(H,21,25)
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n/an/a 95n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-alpha using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 8 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50400751
PNG
(CHEMBL2203553)
Show SMILES COc1cnc(\C=C\c2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C20H17FN4O2/c1-27-17-11-23-18(7-4-12-2-5-13(21)6-3-12)25-19(17)16-10-14-15(24-16)8-9-22-20(14)26/h2-7,10-11,24H,8-9H2,1H3,(H,22,26)/b7-4+
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n/an/a 33n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-alpha using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 8 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens (Human))
BDBM50400745
PNG
(CHEMBL2203559)
Show SMILES COc1cnc(COc2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C19H17FN4O3/c1-26-16-9-22-17(10-27-12-4-2-11(20)3-5-12)24-18(16)15-8-13-14(23-15)6-7-21-19(13)25/h2-5,8-9,23H,6-7,10H2,1H3,(H,21,25)
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n/an/a 24n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-gamma 2 using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 32 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens (Human))
BDBM50400747
PNG
(CHEMBL2203557)
Show SMILES COc1cnc(OCc2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C19H17FN4O3/c1-26-16-9-22-19(27-10-11-2-4-12(20)5-3-11)24-17(16)15-8-13-14(23-15)6-7-21-18(13)25/h2-5,8-9,23H,6-7,10H2,1H3,(H,21,25)
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n/an/a 80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-gamma 2 using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 32 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50400751
PNG
(CHEMBL2203553)
Show SMILES COc1cnc(\C=C\c2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C20H17FN4O2/c1-27-17-11-23-18(7-4-12-2-5-13(21)6-3-12)25-19(17)16-10-14-15(24-16)8-9-22-20(14)26/h2-7,10-11,24H,8-9H2,1H3,(H,22,26)/b7-4+
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-delta using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 11 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50400745
PNG
(CHEMBL2203559)
Show SMILES COc1cnc(COc2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C19H17FN4O3/c1-26-16-9-22-17(10-27-12-4-2-11(20)3-5-12)24-18(16)15-8-13-14(23-15)6-7-21-19(13)25/h2-5,8-9,23H,6-7,10H2,1H3,(H,21,25)
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n/an/a 1.12E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50400747
PNG
(CHEMBL2203557)
Show SMILES COc1cnc(OCc2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C19H17FN4O3/c1-26-16-9-22-19(27-10-11-2-4-12(20)5-3-11)24-17(16)15-8-13-14(23-15)6-7-21-18(13)25/h2-5,8-9,23H,6-7,10H2,1H3,(H,21,25)
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n/an/a>3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50400751
PNG
(CHEMBL2203553)
Show SMILES COc1cnc(\C=C\c2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C20H17FN4O2/c1-27-17-11-23-18(7-4-12-2-5-13(21)6-3-12)25-19(17)16-10-14-15(24-16)8-9-22-20(14)26/h2-7,10-11,24H,8-9H2,1H3,(H,22,26)/b7-4+
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n/an/a 1.22E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50400745
PNG
(CHEMBL2203559)
Show SMILES COc1cnc(COc2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C19H17FN4O3/c1-26-16-9-22-17(10-27-12-4-2-11(20)3-5-12)24-18(16)15-8-13-14(23-15)6-7-21-19(13)25/h2-5,8-9,23H,6-7,10H2,1H3,(H,21,25)
PDB

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n/an/a 58n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-delta using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 11 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50400747
PNG
(CHEMBL2203557)
Show SMILES COc1cnc(OCc2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C19H17FN4O3/c1-26-16-9-22-19(27-10-11-2-4-12(20)5-3-11)24-17(16)15-8-13-14(23-15)6-7-21-18(13)25/h2-5,8-9,23H,6-7,10H2,1H3,(H,21,25)
PDB

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n/an/a 168n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-delta using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 11 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens (Human))
BDBM50400751
PNG
(CHEMBL2203553)
Show SMILES COc1cnc(\C=C\c2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C20H17FN4O2/c1-27-17-11-23-18(7-4-12-2-5-13(21)6-3-12)25-19(17)16-10-14-15(24-16)8-9-22-20(14)26/h2-7,10-11,24H,8-9H2,1H3,(H,22,26)/b7-4+
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1-gamma 2 using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 32 uM ATP


ACS Med Chem Lett 3: 1059-1064 (2012)


Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41
More data for this
Ligand-Target Pair