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Compile Data Set for Download or QSAR

Found 93 hits with Last Name = 'geibel' and Initial = 'c'   
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
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245474
PNG
(US9428503, 1)
Show SMILES CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1
Show InChI InChI=1S/C26H31N5O3/c1-29(2)11-4-12-34-24-8-6-19(16-28-24)18-5-7-22-21(15-18)25-23(17-27-22)30(3)26(32)31(25)20-9-13-33-14-10-20/h5-8,15-17,20H,4,9-14H2,1-3H3
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n/an/a 0.220n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50604534
PNG
(CHEMBL5191923 | US20230348462, Example 50)
Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN3CC(F)C3)cc2)n(C)c1=O
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n/an/a 0.320n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50604528
PNG
(CHEMBL5183158 | US20230348462, Example 27)
Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN(C)C)cc2F)n(C)c1=O
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n/an/a 0.650n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50604529
PNG
(CHEMBL5181829 | US20230348462, Example 28)
Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN(C)C)c(F)c2)n(C)c1=O
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50604533
PNG
(CHEMBL5170132 | US20230348462, Example 49)
Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN3CCC3)cc2)n(C)c1=O
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50604508
PNG
(CHEMBL5204162 | US20230348462, Example 17)
Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NC3CCCN(C)C3)cc2)n(C)c1=O
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50604529
PNG
(CHEMBL5181829 | US20230348462, Example 28)
Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN(C)C)c(F)c2)n(C)c1=O
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50604528
PNG
(CHEMBL5183158 | US20230348462, Example 27)
Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN(C)C)cc2F)n(C)c1=O
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50604533
PNG
(CHEMBL5170132 | US20230348462, Example 49)
Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN3CCC3)cc2)n(C)c1=O
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50604534
PNG
(CHEMBL5191923 | US20230348462, Example 50)
Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN3CC(F)C3)cc2)n(C)c1=O
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50604535
PNG
(CHEMBL5198342 | US20230348462, Example 51)
Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN3CC(F)(F)C3)cc2)n(C)c1=O
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50604513
PNG
(CHEMBL5191914)
Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)N(C)CCN(C)C)cc2)n(C)c1=O
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50604512
PNG
(CHEMBL5207887)
Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NC(C)CN(C)C)cc2)n(C)c1=O
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50604511
PNG
(CHEMBL5199423 | US20230348462, Example 16)
Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NC3CCNCC3)cc2)n(C)c1=O
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50604510
PNG
(CHEMBL5209108 | US20230348462, Example 15)
Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NC3CCN(CC3)C(=O)OC(C)(C)C)cc2)n(C)c1=O
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245474
PNG
(US9428503, 1)
Show SMILES CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1
Show InChI InChI=1S/C26H31N5O3/c1-29(2)11-4-12-34-24-8-6-19(16-28-24)18-5-7-22-21(15-18)25-23(17-27-22)30(3)26(32)31(25)20-9-13-33-14-10-20/h5-8,15-17,20H,4,9-14H2,1-3H3
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50604502
PNG
(CHEMBL5203201 | US20230348462, Example 7)
Show SMILES CN(C)CCNC(=O)Nc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50604504
PNG
(CHEMBL5184135 | US20230348462, Example 10)
Show SMILES CN(C)CCNC(=O)Nc1ccc(cc1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50604505
PNG
(CHEMBL5171246 | US20230348462, Example 11)
Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN(C)C)cc2)n(C)c1=O
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50604506
PNG
(CHEMBL5179355 | US20230348462, Example 21)
Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NC3CN(C)C3)cc2)n(C)c1=O
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50604507
PNG
(CHEMBL5204408 | US20230348462, Example 19)
Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NC3CCN(C)C3)cc2)n(C)c1=O
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50604513
PNG
(CHEMBL5191914)
Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)N(C)CCN(C)C)cc2)n(C)c1=O
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n/an/a 1.30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50604505
PNG
(CHEMBL5171246 | US20230348462, Example 11)
Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN(C)C)cc2)n(C)c1=O
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n/an/a 1.70n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50604521
PNG
(CHEMBL5195854 | US20230348462, Example 13)
Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)N3CCC(CC3)NC(=O)OC(C)(C)C)cc2)n(C)c1=O
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50604503
PNG
(CHEMBL5201821 | US20230348462, Example 8)
Show SMILES CN1CCN(CC1)C(=O)Nc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50585185
PNG
(CHEMBL5077814)
Show SMILES C#Cc1ccc2c(c1)[nH]c1ncnc(N3CCC4CCN(CCC#N)CC34)c21
PDB
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TBA

Assay Description
Inhibition of recombinant human GSK-3-beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 10 mins followed by substrate addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02146
BindingDB Entry DOI: 10.7270/Q2CJ8JC4
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50585185
PNG
(CHEMBL5077814)
Show SMILES C#Cc1ccc2c(c1)[nH]c1ncnc(N3CCC4CCN(CCC#N)CC34)c21
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Assay Description
Inhibition of recombinant human GSK-3-beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 10 mins followed by substrate addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02146
BindingDB Entry DOI: 10.7270/Q2CJ8JC4
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50604530
PNG
(CHEMBL5179580 | US20230348462, Example 46)
Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN(C)C)c(F)c2F)n(C)c1=O
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n/an/a 3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50604535
PNG
(CHEMBL5198342 | US20230348462, Example 51)
Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN3CC(F)(F)C3)cc2)n(C)c1=O
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n/an/a 3.30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50604509
PNG
(CHEMBL5172175 | US20230348462, Example 18)
Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NC3CCN(C)CC3)cc2)n(C)c1=O
PDB

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n/an/a 4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50604518
PNG
(CHEMBL5209089 | US20230348462, Example 26)
Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)N3CC(C3)N(C)C)cc2)n(C)c1=O
PDB

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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50585181
PNG
(CHEMBL5089934)
Show SMILES CN([C@H]1CCCN(CCC#N)C1)c1ncnc2[nH]c3cc(ccc3c12)C#C |r|
PDB
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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GSK-3-beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 10 mins followed by substrate addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02146
BindingDB Entry DOI: 10.7270/Q2CJ8JC4
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50585181
PNG
(CHEMBL5089934)
Show SMILES CN([C@H]1CCCN(CCC#N)C1)c1ncnc2[nH]c3cc(ccc3c12)C#C |r|
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n/an/a 6.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GSK-3-beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 10 mins followed by substrate addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02146
BindingDB Entry DOI: 10.7270/Q2CJ8JC4
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50604519
PNG
(CHEMBL5171104 | US20230348462, Example 25)
Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)N3CCC(C3)N(C)C)cc2)n(C)c1=O
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n/an/a 7n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50604522
PNG
(CHEMBL5175636)
Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)N3CCC(N)CC3)cc2)n(C)c1=O
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n/an/a 16n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50585180
PNG
(CHEMBL5084461)
Show SMILES CN(C1CCCN(CCC#N)C1)c1ncnc2[nH]c3cc(ccc3c12)C#C
PDB
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n/an/a 23n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GSK-3-beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 10 mins followed by substrate addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02146
BindingDB Entry DOI: 10.7270/Q2CJ8JC4
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50604515
PNG
(CHEMBL5195925)
Show SMILES [H][C@]12CN(C(=O)Nc3ccc(cc3)-c3ccc4ncc5n(C)c(=O)n(CCOC)c5c4c3)[C@]([H])(CN1C)C2 |r|
PDB

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n/an/a 25n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50585180
PNG
(CHEMBL5084461)
Show SMILES CN(C1CCCN(CCC#N)C1)c1ncnc2[nH]c3cc(ccc3c12)C#C
PDB
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n/an/a 25n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GSK-3-beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 10 mins followed by substrate addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02146
BindingDB Entry DOI: 10.7270/Q2CJ8JC4
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50604531
PNG
(CHEMBL5181690)
Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN(C)C)c(F)c2Cl)n(C)c1=O
PDB

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n/an/a 32n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50604532
PNG
(CHEMBL5189299)
Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN(C)C)c(C)c2F)n(C)c1=O
PDB

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n/an/a 37n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50585183
PNG
(CHEMBL5088263)
Show SMILES Brc1ccc2c(c1)[nH]c1ncnc(N3CCC4CCN(CCC#N)CC34)c21
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n/an/a 63n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GSK-3-beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 10 mins followed by substrate addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02146
BindingDB Entry DOI: 10.7270/Q2CJ8JC4
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50585183
PNG
(CHEMBL5088263)
Show SMILES Brc1ccc2c(c1)[nH]c1ncnc(N3CCC4CCN(CCC#N)CC34)c21
PDB
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n/an/a 66n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GSK-3-beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 10 mins followed by substrate addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02146
BindingDB Entry DOI: 10.7270/Q2CJ8JC4
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50604514
PNG
(CHEMBL5193567)
Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)N3CCN(C)CC3)cc2)n(C)c1=O
PDB

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n/an/a 78n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50604523
PNG
(CHEMBL5200163)
Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)N3CCN(C)CC3)cc2F)n(C)c1=O
PDB

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UniChem
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n/an/a 101n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50585162
PNG
(CHEMBL5074629)
Show SMILES Clc1ccc2c(c1)[nH]c1ncnc(N3CCC4CCN(CCC#N)CC34)c21
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n/an/a 126n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GSK-3-beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 10 mins followed by substrate addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02146
BindingDB Entry DOI: 10.7270/Q2CJ8JC4
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50585184
PNG
(CHEMBL5071096)
Show SMILES Ic1ccc2c(c1)[nH]c1ncnc(N3CCC4CCN(CCC#N)CC34)c21
PDB
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n/an/a 126n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GSK-3-beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 10 mins followed by substrate addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02146
BindingDB Entry DOI: 10.7270/Q2CJ8JC4
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50585162
PNG
(CHEMBL5074629)
Show SMILES Clc1ccc2c(c1)[nH]c1ncnc(N3CCC4CCN(CCC#N)CC34)c21
PDB
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n/an/a 130n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GSK-3-beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 10 mins followed by substrate addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02146
BindingDB Entry DOI: 10.7270/Q2CJ8JC4
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50585162
PNG
(CHEMBL5074629)
Show SMILES Clc1ccc2c(c1)[nH]c1ncnc(N3CCC4CCN(CCC#N)CC34)c21
PDB
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n/an/a 130n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GSK-3-beta (unknown origin) by ADP Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02146
BindingDB Entry DOI: 10.7270/Q2CJ8JC4
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50585184
PNG
(CHEMBL5071096)
Show SMILES Ic1ccc2c(c1)[nH]c1ncnc(N3CCC4CCN(CCC#N)CC34)c21
PDB
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n/an/a 132n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GSK-3-beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 10 mins followed by substrate addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02146
BindingDB Entry DOI: 10.7270/Q2CJ8JC4
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50604517
PNG
(CHEMBL5191601)
Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)N3CCN(CC3)C(C)C)cc2)n(C)c1=O
PDB

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n/an/a 158n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114234
BindingDB Entry DOI: 10.7270/Q27M0D1D
More data for this
Ligand-Target Pair
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