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Compile Data Set for Download or QSAR

Found 232 hits with Last Name = 'kolb' and Initial = 's'   
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
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50402073
PNG
(CHEMBL2206008)
Show SMILES CCN(CC)CCOc1ccc(\C=C2/C(=O)Nc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C21H23ClN2O2/c1-3-24(4-2)11-12-26-17-8-5-15(6-9-17)13-19-18-14-16(22)7-10-20(18)23-21(19)25/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,25)/b19-13-
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n/an/a 4.10n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLT3 expressed in insect cells using Ulight-CAGAGAIETDKEYYTVKD as substrate after 90 mins by LANCE method


Bioorg Med Chem Lett 22: 7634-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.016
BindingDB Entry DOI: 10.7270/Q2SX6FCN
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50577292
PNG
(CHEMBL4870563)
Show SMILES Cn1nc(C2CCOCC2)c2c1cnc1ccc(cc21)-c1cncc(c1)C(F)F
PDB

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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50577299
PNG
(CHEMBL4875626)
Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCCCC4)n3c2c1 |t:20|
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50577291
PNG
(CHEMBL4869632)
Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3[nH]nc(C4CCOCC4)c3c2c1
PDB

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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50577291
PNG
(CHEMBL4869632)
Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3[nH]nc(C4CCOCC4)c3c2c1
PDB
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kbeta (unknown origin) using PI(4,5)P2 as substrate incubated for 60 mins in presence of ATP by ADP-Glo kinase assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50577293
PNG
(CHEMBL4868400)
Show SMILES Cn1nc2cnc3ccc(cc3c2c1C1CCOCC1)-c1cncc(c1)C(F)F
PDB
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kbeta (unknown origin) using PI(4,5)P2 as substrate incubated for 60 mins in presence of ATP by ADP-Glo kinase assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50577300
PNG
(CHEMBL4860779)
Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCCCCC4)n3c2c1 |t:20|
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50402072
PNG
(CHEMBL2206013)
Show SMILES Clc1ccc2NC(=O)\C(=C/c3ccc(OCCN4CCOCC4)cc3)c2c1
Show InChI InChI=1S/C21H21ClN2O3/c22-16-3-6-20-18(14-16)19(21(25)23-20)13-15-1-4-17(5-2-15)27-12-9-24-7-10-26-11-8-24/h1-6,13-14H,7-12H2,(H,23,25)/b19-13-
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n/an/a 14n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLT3 expressed in insect cells using Ulight-CAGAGAIETDKEYYTVKD as substrate after 90 mins by LANCE method


Bioorg Med Chem Lett 22: 7634-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.016
BindingDB Entry DOI: 10.7270/Q2SX6FCN
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50402070
PNG
(CHEMBL2206017)
Show SMILES COc1cc(\C=C2/C(=O)Nc3ccc(Cl)cc23)ccc1OCCCC#N
Show InChI InChI=1S/C20H17ClN2O3/c1-25-19-11-13(4-7-18(19)26-9-3-2-8-22)10-16-15-12-14(21)5-6-17(15)23-20(16)24/h4-7,10-12H,2-3,9H2,1H3,(H,23,24)/b16-10-
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n/an/a 17n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLT3 expressed in insect cells using Ulight-CAGAGAIETDKEYYTVKD as substrate after 90 mins by LANCE method


Bioorg Med Chem Lett 22: 7634-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.016
BindingDB Entry DOI: 10.7270/Q2SX6FCN
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50577294
PNG
(CHEMBL4852502)
Show SMILES Cc1nc(C2CCOCC2)n2c1cnc1ccc(cc21)-c1cncc(c1)C(F)F
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n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50577292
PNG
(CHEMBL4870563)
Show SMILES Cn1nc(C2CCOCC2)c2c1cnc1ccc(cc21)-c1cncc(c1)C(F)F
PDB
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n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kbeta (unknown origin) using PI(4,5)P2 as substrate incubated for 60 mins in presence of ATP by ADP-Glo kinase assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50577293
PNG
(CHEMBL4868400)
Show SMILES Cn1nc2cnc3ccc(cc3c2c1C1CCOCC1)-c1cncc(c1)C(F)F
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n/an/a 26n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50402071
PNG
(CHEMBL2206015)
Show SMILES COc1cc(\C=C2/C(=O)Nc3ccc(Cl)cc23)ccc1OCCN(C)C
Show InChI InChI=1S/C20H21ClN2O3/c1-23(2)8-9-26-18-7-4-13(11-19(18)25-3)10-16-15-12-14(21)5-6-17(15)22-20(16)24/h4-7,10-12H,8-9H2,1-3H3,(H,22,24)/b16-10-
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n/an/a 29n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLT3 expressed in insect cells using Ulight-CAGAGAIETDKEYYTVKD as substrate after 90 mins by LANCE method


Bioorg Med Chem Lett 22: 7634-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.016
BindingDB Entry DOI: 10.7270/Q2SX6FCN
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50577302
PNG
(CHEMBL4860129)
Show SMILES CO[C@H]1CC[C@@H](CC1)c1nnc2cnc3ccc(cc3n12)-c1cncc(c1)C(F)F |r,wU:5.8,wD:2.1,(43.27,-45.09,;42.81,-46.55,;43.84,-47.68,;43.38,-49.15,;44.41,-50.29,;45.91,-49.96,;46.38,-48.49,;45.35,-47.35,;46.95,-51.09,;48.48,-50.92,;49.11,-52.31,;47.98,-53.34,;48,-54.9,;46.66,-55.68,;45.32,-54.91,;43.99,-55.69,;42.65,-54.91,;42.66,-53.37,;43.99,-52.6,;45.32,-53.36,;46.65,-52.59,;41.32,-52.6,;40,-53.37,;38.67,-52.61,;38.66,-51.06,;39.99,-50.29,;41.33,-51.06,;39.99,-48.76,;41.32,-47.99,;38.66,-47.99,)|
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n/an/a 32n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50577295
PNG
(CHEMBL4873263)
Show SMILES [H][C@@]12COC[C@]1([H])[C@H]2c1nnc2cnc3ccc(cc3n12)-c1cncc(c1)C(F)F |r|
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n/an/a 35n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50577300
PNG
(CHEMBL4860779)
Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCCCCC4)n3c2c1 |t:20|
PDB
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n/an/a 36n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kbeta (unknown origin) using PI(4,5)P2 as substrate incubated for 60 mins in presence of ATP by ADP-Glo kinase assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50577301
PNG
(CHEMBL4850640)
Show SMILES CO[C@H]1CC[C@H](CC1)c1nnc2cnc3ccc(cc3n12)-c1cncc(c1)C(F)F |r,wU:5.8,2.1,(26.22,-45.52,;25.75,-46.98,;26.79,-48.11,;28.29,-47.78,;29.33,-48.92,;28.86,-50.39,;27.36,-50.72,;26.32,-49.58,;29.9,-51.52,;31.42,-51.35,;32.06,-52.74,;30.93,-53.78,;30.94,-55.33,;29.61,-56.11,;28.27,-55.34,;26.93,-56.12,;25.6,-55.34,;25.6,-53.8,;26.93,-53.03,;28.27,-53.79,;29.6,-53.02,;24.27,-53.03,;22.94,-53.8,;21.61,-53.04,;21.61,-51.49,;22.94,-50.72,;24.27,-51.49,;22.94,-49.19,;24.26,-48.42,;21.61,-48.42,)|
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n/an/a 39n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50577298
PNG
(CHEMBL4871998)
Show SMILES [H][C@@]12CCC[C@]1([H])[C@H]2c1nnc2cnc3ccc(cc3n12)-c1cncc(c1)C(F)F |r|
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n/an/a 40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50577296
PNG
(CHEMBL4849035)
Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCOCC4)n3c2c1 |t:20|
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n/an/a 41n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50577294
PNG
(CHEMBL4852502)
Show SMILES Cc1nc(C2CCOCC2)n2c1cnc1ccc(cc21)-c1cncc(c1)C(F)F
PDB
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n/an/a 43n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kbeta (unknown origin) using PI(4,5)P2 as substrate incubated for 60 mins in presence of ATP by ADP-Glo kinase assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50577298
PNG
(CHEMBL4871998)
Show SMILES [H][C@@]12CCC[C@]1([H])[C@H]2c1nnc2cnc3ccc(cc3n12)-c1cncc(c1)C(F)F |r|
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n/an/a 44n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DNA-PK in human HT-144 cells assessed as reduction in gammaH2AX phosphorylation incubated for 30 mins by fluorescence assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50577274
PNG
(CHEMBL4876439)
Show SMILES CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3nnc(C4CCOCC4)n3c2c1
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n/an/a 47n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full-length N-terminal FLAG-tagged human ATM expressed in HEK293-6E cells using biotin-PEG2-SVEPPLSQETFSD as substrate preincubated for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50577296
PNG
(CHEMBL4849035)
Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCOCC4)n3c2c1 |t:20|
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n/an/a 47n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DNA-PK in human HT-144 cells assessed as reduction in gammaH2AX phosphorylation incubated for 30 mins by fluorescence assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50577301
PNG
(CHEMBL4850640)
Show SMILES CO[C@H]1CC[C@H](CC1)c1nnc2cnc3ccc(cc3n12)-c1cncc(c1)C(F)F |r,wU:5.8,2.1,(26.22,-45.52,;25.75,-46.98,;26.79,-48.11,;28.29,-47.78,;29.33,-48.92,;28.86,-50.39,;27.36,-50.72,;26.32,-49.58,;29.9,-51.52,;31.42,-51.35,;32.06,-52.74,;30.93,-53.78,;30.94,-55.33,;29.61,-56.11,;28.27,-55.34,;26.93,-56.12,;25.6,-55.34,;25.6,-53.8,;26.93,-53.03,;28.27,-53.79,;29.6,-53.02,;24.27,-53.03,;22.94,-53.8,;21.61,-53.04,;21.61,-51.49,;22.94,-50.72,;24.27,-51.49,;22.94,-49.19,;24.26,-48.42,;21.61,-48.42,)|
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n/an/a 53n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DNA-PK in human HT-144 cells assessed as reduction in gammaH2AX phosphorylation incubated for 30 mins by fluorescence assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50577300
PNG
(CHEMBL4860779)
Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCCCCC4)n3c2c1 |t:20|
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TBA

Assay Description
Inhibition of DNA-PK in human HT-144 cells assessed as reduction in gammaH2AX phosphorylation incubated for 30 mins by fluorescence assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50577298
PNG
(CHEMBL4871998)
Show SMILES [H][C@@]12CCC[C@]1([H])[C@H]2c1nnc2cnc3ccc(cc3n12)-c1cncc(c1)C(F)F |r|
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n/an/a 63n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kbeta (unknown origin) using PI(4,5)P2 as substrate incubated for 60 mins in presence of ATP by ADP-Glo kinase assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50577299
PNG
(CHEMBL4875626)
Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCCCC4)n3c2c1 |t:20|
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TBA

Assay Description
Inhibition of PI3Kbeta (unknown origin) using PI(4,5)P2 as substrate incubated for 60 mins in presence of ATP by ADP-Glo kinase assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50577297
PNG
(CHEMBL4851439)
Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCCOCC4)n3c2c1 |t:20|
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TBA

Assay Description
Inhibition of DNA-PK in human HT-144 cells assessed as reduction in gammaH2AX phosphorylation incubated for 30 mins by fluorescence assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50267086
PNG
(Adociaquinone B | CHEMBL476648)
Show SMILES C[C@@]12CCCc3coc(c13)C(=O)c1cc3C(=O)C4=NCCS(=O)(=O)C4C(=O)c3cc21 |r,t:19|
Show InChI InChI=1S/C22H17NO6S/c1-22-4-2-3-10-9-29-20(15(10)22)18(25)13-7-11-12(8-14(13)22)19(26)21-16(17(11)24)23-5-6-30(21,27)28/h7-9,21H,2-6H2,1H3/t21?,22-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDC25B


Bioorg Med Chem 16: 9040-9 (2008)


Article DOI: 10.1016/j.bmc.2008.08.009
BindingDB Entry DOI: 10.7270/Q2833SZB
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50577279
PNG
(CHEMBL4857669)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1ccc2ncc3nnc(C4CCOCC4)n3c2c1
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TBA

Assay Description
Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50577297
PNG
(CHEMBL4851439)
Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCCOCC4)n3c2c1 |t:20|
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TBA

Assay Description
Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50577292
PNG
(CHEMBL4870563)
Show SMILES Cn1nc(C2CCOCC2)c2c1cnc1ccc(cc21)-c1cncc(c1)C(F)F
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n/an/a 90n/an/an/an/an/an/a


TBA

Assay Description
Displacement of 5-TAMRA-labelled Tracer A from human GST-fused/FLAG-tagged full length ATR/human N-terminal FLAG-tagged full length ATRIP expressed i...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50577302
PNG
(CHEMBL4860129)
Show SMILES CO[C@H]1CC[C@@H](CC1)c1nnc2cnc3ccc(cc3n12)-c1cncc(c1)C(F)F |r,wU:5.8,wD:2.1,(43.27,-45.09,;42.81,-46.55,;43.84,-47.68,;43.38,-49.15,;44.41,-50.29,;45.91,-49.96,;46.38,-48.49,;45.35,-47.35,;46.95,-51.09,;48.48,-50.92,;49.11,-52.31,;47.98,-53.34,;48,-54.9,;46.66,-55.68,;45.32,-54.91,;43.99,-55.69,;42.65,-54.91,;42.66,-53.37,;43.99,-52.6,;45.32,-53.36,;46.65,-52.59,;41.32,-52.6,;40,-53.37,;38.67,-52.61,;38.66,-51.06,;39.99,-50.29,;41.33,-51.06,;39.99,-48.76,;41.32,-47.99,;38.66,-47.99,)|
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n/an/a 92n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DNA-PK in human HT-144 cells assessed as reduction in gammaH2AX phosphorylation incubated for 30 mins by fluorescence assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50577295
PNG
(CHEMBL4873263)
Show SMILES [H][C@@]12COC[C@]1([H])[C@H]2c1nnc2cnc3ccc(cc3n12)-c1cncc(c1)C(F)F |r|
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n/an/a 98n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DNA-PK in human HT-144 cells assessed as reduction in gammaH2AX phosphorylation incubated for 30 mins by fluorescence assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50577283
PNG
(CHEMBL4867528)
Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4CCOCC4)n3c2c1
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TBA

Assay Description
Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50577297
PNG
(CHEMBL4851439)
Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCCOCC4)n3c2c1 |t:20|
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n/an/a 117n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kbeta (unknown origin) using PI(4,5)P2 as substrate incubated for 60 mins in presence of ATP by ADP-Glo kinase assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50577273
PNG
(CHEMBL4860637)
Show SMILES OCc1cccc(c1)-c1ccc2ncc3nnc(C4CCOCC4)n3c2c1
PDB

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n/an/a 117n/an/an/an/an/an/a


TBA

Assay Description
Displacement of 5-TAMRA-labelled Tracer A from human GST-fused/FLAG-tagged full length ATR/human N-terminal FLAG-tagged full length ATRIP expressed i...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50577285
PNG
(CHEMBL4851045)
Show SMILES CS(=O)(=O)c1cncc(c1)-c1ccc2ncc3nnc(C4CCOCC4)n3c2c1
PDB

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n/an/a 123n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50577284
PNG
(CHEMBL4863567)
Show SMILES NS(=O)(=O)c1cncc(c1)-c1ccc2ncc3nnc(C4CCOCC4)n3c2c1
PDB

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n/an/a 124n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50577300
PNG
(CHEMBL4860779)
Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCCCCC4)n3c2c1 |t:20|
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n/an/a 141n/an/an/an/an/an/a


TBA

Assay Description
Displacement of 5-TAMRA-labelled Tracer A from human GST-fused/FLAG-tagged full length ATR/human N-terminal FLAG-tagged full length ATRIP expressed i...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50577296
PNG
(CHEMBL4849035)
Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCOCC4)n3c2c1 |t:20|
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n/an/a 147n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kbeta (unknown origin) using PI(4,5)P2 as substrate incubated for 60 mins in presence of ATP by ADP-Glo kinase assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50577275
PNG
(CHEMBL4877926)
Show SMILES FC(F)c1cccc(c1)-c1ccc2ncc3nnc(C4CCOCC4)n3c2c1
PDB

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n/an/a 153n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50577281
PNG
(CHEMBL4873491)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc2ncc3nnc(C4CCOCC4)n3c2c1
PDB

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n/an/a 156n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50577302
PNG
(CHEMBL4860129)
Show SMILES CO[C@H]1CC[C@@H](CC1)c1nnc2cnc3ccc(cc3n12)-c1cncc(c1)C(F)F |r,wU:5.8,wD:2.1,(43.27,-45.09,;42.81,-46.55,;43.84,-47.68,;43.38,-49.15,;44.41,-50.29,;45.91,-49.96,;46.38,-48.49,;45.35,-47.35,;46.95,-51.09,;48.48,-50.92,;49.11,-52.31,;47.98,-53.34,;48,-54.9,;46.66,-55.68,;45.32,-54.91,;43.99,-55.69,;42.65,-54.91,;42.66,-53.37,;43.99,-52.6,;45.32,-53.36,;46.65,-52.59,;41.32,-52.6,;40,-53.37,;38.67,-52.61,;38.66,-51.06,;39.99,-50.29,;41.33,-51.06,;39.99,-48.76,;41.32,-47.99,;38.66,-47.99,)|
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n/an/a 178n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kbeta (unknown origin) using PI(4,5)P2 as substrate incubated for 60 mins in presence of ATP by ADP-Glo kinase assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50577291
PNG
(CHEMBL4869632)
Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3[nH]nc(C4CCOCC4)c3c2c1
PDB

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n/an/a 197n/an/an/an/an/an/a


TBA

Assay Description
Displacement of 5-TAMRA-labelled Tracer A from human GST-fused/FLAG-tagged full length ATR/human N-terminal FLAG-tagged full length ATRIP expressed i...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50577295
PNG
(CHEMBL4873263)
Show SMILES [H][C@@]12COC[C@]1([H])[C@H]2c1nnc2cnc3ccc(cc3n12)-c1cncc(c1)C(F)F |r|
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n/an/a 198n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kbeta (unknown origin) using PI(4,5)P2 as substrate incubated for 60 mins in presence of ATP by ADP-Glo kinase assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50577282
PNG
(CHEMBL4855691)
Show SMILES Cc1cncc(c1)-c1ccc2ncc3nnc(C4CCOCC4)n3c2c1
PDB

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TBA

Assay Description
Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50577273
PNG
(CHEMBL4860637)
Show SMILES OCc1cccc(c1)-c1ccc2ncc3nnc(C4CCOCC4)n3c2c1
PDB

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TBA

Assay Description
Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50577299
PNG
(CHEMBL4875626)
Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCCCC4)n3c2c1 |t:20|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 270n/an/an/an/an/an/a


TBA

Assay Description
Displacement of 5-TAMRA-labelled Tracer A from human GST-fused/FLAG-tagged full length ATR/human N-terminal FLAG-tagged full length ATRIP expressed i...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50577293
PNG
(CHEMBL4868400)
Show SMILES Cn1nc2cnc3ccc(cc3c2c1C1CCOCC1)-c1cncc(c1)C(F)F
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 314n/an/an/an/an/an/a


TBA

Assay Description
Displacement of 5-TAMRA-labelled Tracer A from human GST-fused/FLAG-tagged full length ATR/human N-terminal FLAG-tagged full length ATRIP expressed i...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00762
BindingDB Entry DOI: 10.7270/Q2XK8KD9
More data for this
Ligand-Target Pair
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