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Compile Data Set for Download or QSAR

Found 137 hits Enz. Inhib. hit(s) with all data for entry = 50011665   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50549837
PNG
(CHEMBL4759283)
Show SMILES COc1cc(cnc1OC)C#Cc1sc(NC(=O)NCCOCC2CC2)nc1C
PDB
MMDB

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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 15 mins in presence of [33P]-ATP by liquid scintillation counting met...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50549829
PNG
(CHEMBL4760520)
Show SMILES Cc1nc(NC(=O)NCCc2cn(CC(F)F)cn2)sc1C#Cc1ccncc1
PDB
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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 15 mins in presence of [33P]-ATP by liquid scintillation counting met...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50549855
PNG
(CHEMBL4756664)
Show SMILES C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cnc(C)c(C)c1)OCC1CC1 |r|
PDB
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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 15 mins in presence of [33P]-ATP by liquid scintillation counting met...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50549828
PNG
(CHEMBL4795990)
Show SMILES Cc1nc(NC(=O)NCCc2cn(CC(F)F)cn2)sc1C#Cc1cccnc1
PDB
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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 15 mins in presence of [33P]-ATP by liquid scintillation counting met...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50549854
PNG
(CHEMBL4784202)
Show SMILES C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cncc(C)c1)OCC1CC1 |r|
PDB
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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 15 mins in presence of [33P]-ATP by liquid scintillation counting met...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50549856
PNG
(CHEMBL4761824)
Show SMILES COc1cc(ccn1)C#Cc1sc(NC(=O)NC[C@H](C)OCC2CC2)nc1C |r|
PDB
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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 15 mins in presence of [33P]-ATP by liquid scintillation counting met...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50549843
PNG
(CHEMBL4787005)
Show SMILES COc1ncc(nc1OC)C#Cc1sc(NC(=O)NCCOCC2CC2)nc1C
PDB
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5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 15 mins in presence of [33P]-ATP by liquid scintillation counting met...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50549833
PNG
(CHEMBL4749552)
Show SMILES CCCOCCNC(=O)Nc1nc(C)c(s1)C#Cc1ccncc1
PDB
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6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 15 mins in presence of [33P]-ATP by liquid scintillation counting met...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50549845
PNG
(CHEMBL4764065)
Show SMILES Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccnc2ccccc12
PDB
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6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 15 mins in presence of [33P]-ATP by liquid scintillation counting met...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50549840
PNG
(CHEMBL4800674)
Show SMILES Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccnc(F)c1
PDB
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6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 15 mins in presence of [33P]-ATP by liquid scintillation counting met...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50549838
PNG
(CHEMBL4762194)
Show SMILES COc1cc(ccn1)C#Cc1sc(NC(=O)NCCOCC2CC2)nc1C
PDB
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6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 15 mins in presence of [33P]-ATP by liquid scintillation counting met...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50549835
PNG
(CHEMBL4779628)
Show SMILES Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccncc1
PDB
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7n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 15 mins in presence of [33P]-ATP by liquid scintillation counting met...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50549834
PNG
(CHEMBL4753474)
Show SMILES Cc1nc(NC(=O)NCCOCCC(C)(C)C)sc1C#Cc1ccncc1
PDB
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9n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 15 mins in presence of [33P]-ATP by liquid scintillation counting met...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50549853
PNG
(CHEMBL4744017)
Show SMILES C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1ccncc1)OCC1CC1 |r|
PDB
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9n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 15 mins in presence of [33P]-ATP by liquid scintillation counting met...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50549841
PNG
(CHEMBL4746055)
Show SMILES Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccnc(Cl)c1
PDB
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10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 15 mins in presence of [33P]-ATP by liquid scintillation counting met...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50549836
PNG
(CHEMBL4787554)
Show SMILES COc1cncc(c1)C#Cc1sc(NC(=O)NCCOCC2CC2)nc1C
PDB
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11n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 15 mins in presence of [33P]-ATP by liquid scintillation counting met...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50549849
PNG
(CHEMBL4789398)
Show SMILES Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1cnc2nccnc2c1
PDB
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11n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 15 mins in presence of [33P]-ATP by liquid scintillation counting met...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50549857
PNG
(CHEMBL4749369)
Show SMILES C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1ccncc1)OCC1CCC1 |r|
PDB
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14n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 15 mins in presence of [33P]-ATP by liquid scintillation counting met...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50549846
PNG
(CHEMBL4764646)
Show SMILES Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccc2cncn2c1
PDB
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22n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 15 mins in presence of [33P]-ATP by liquid scintillation counting met...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50549847
PNG
(CHEMBL4761358)
Show SMILES Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1cnc2[nH]ccc2c1
PDB
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25n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 15 mins in presence of [33P]-ATP by liquid scintillation counting met...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50549832
PNG
(CHEMBL4757894)
Show SMILES CCOCCNC(=O)Nc1nc(C)c(s1)C#Cc1ccncc1
PDB
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42n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 15 mins in presence of [33P]-ATP by liquid scintillation counting met...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50549831
PNG
(CHEMBL4740213)
Show SMILES COCCNC(=O)Nc1nc(C)c(s1)C#Cc1ccncc1
PDB
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43n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 15 mins in presence of [33P]-ATP by liquid scintillation counting met...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50549848
PNG
(CHEMBL4749807)
Show SMILES Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1cnc2ncccc2c1
PDB
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45n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 15 mins in presence of [33P]-ATP by liquid scintillation counting met...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50549842
PNG
(CHEMBL4764754)
Show SMILES Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccc(nc1)C(F)(F)F
PDB
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52n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 15 mins in presence of [33P]-ATP by liquid scintillation counting met...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50549830
PNG
(CHEMBL4797330)
Show SMILES Cc1nc(NC(=O)NCCOc2ccccc2Cl)sc1C#Cc1ccncc1
PDB
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63n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 15 mins in presence of [33P]-ATP by liquid scintillation counting met...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50549850
PNG
(CHEMBL4747367)
Show SMILES C[C@H](COCC1CC1)NC(=O)Nc1nc(C)c(s1)C#Cc1ccncc1 |r|
PDB
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89n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 15 mins in presence of [33P]-ATP by liquid scintillation counting met...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50549844
PNG
(CHEMBL4749950)
Show SMILES Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1cncc2ccccc12
PDB
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99n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 15 mins in presence of [33P]-ATP by liquid scintillation counting met...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50549852
PNG
(CHEMBL4749625)
Show SMILES C[C@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1ccncc1)OCC1CC1 |r|
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122n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 15 mins in presence of [33P]-ATP by liquid scintillation counting met...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50549839
PNG
(CHEMBL4753737)
Show SMILES COc1cccc(n1)C#Cc1sc(NC(=O)NCCOCC2CC2)nc1C
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240n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 15 mins in presence of [33P]-ATP by liquid scintillation counting met...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50549828
PNG
(CHEMBL4795990)
Show SMILES Cc1nc(NC(=O)NCCc2cn(CC(F)F)cn2)sc1C#Cc1cccnc1
PDB
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252n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate measured after 15 mins in presence of [33P]-ATP by liquid scintillation counting met...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50549851
PNG
(CHEMBL4757698)
Show SMILES C[C@@H](COCC1CC1)NC(=O)Nc1nc(C)c(s1)C#Cc1ccncc1 |r|
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342n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 15 mins in presence of [33P]-ATP by liquid scintillation counting met...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50549837
PNG
(CHEMBL4759283)
Show SMILES COc1cc(cnc1OC)C#Cc1sc(NC(=O)NCCOCC2CC2)nc1C
PDB

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2.80E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DNA-PK (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50549828
PNG
(CHEMBL4795990)
Show SMILES Cc1nc(NC(=O)NCCc2cn(CC(F)F)cn2)sc1C#Cc1cccnc1
PDB

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3.40E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DNA-PK (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50549855
PNG
(CHEMBL4756664)
Show SMILES C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cnc(C)c(C)c1)OCC1CC1 |r|
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3.50E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DNA-PK (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50549828
PNG
(CHEMBL4795990)
Show SMILES Cc1nc(NC(=O)NCCc2cn(CC(F)F)cn2)sc1C#Cc1cccnc1
PDB
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>4.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2 (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50549837
PNG
(CHEMBL4759283)
Show SMILES COc1cc(cnc1OC)C#Cc1sc(NC(=O)NCCOCC2CC2)nc1C
PDB
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>4.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2 (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50549846
PNG
(CHEMBL4764646)
Show SMILES Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccc2cncn2c1
PDB
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>4.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2 (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50549854
PNG
(CHEMBL4784202)
Show SMILES C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cncc(C)c1)OCC1CC1 |r|
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>4.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2 (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50549855
PNG
(CHEMBL4756664)
Show SMILES C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cnc(C)c(C)c1)OCC1CC1 |r|
PDB
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>4.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2 (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50549828
PNG
(CHEMBL4795990)
Show SMILES Cc1nc(NC(=O)NCCc2cn(CC(F)F)cn2)sc1C#Cc1cccnc1
PDB

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>4.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLT3 (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50549837
PNG
(CHEMBL4759283)
Show SMILES COc1cc(cnc1OC)C#Cc1sc(NC(=O)NCCOCC2CC2)nc1C
PDB

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>4.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLT3 (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50549846
PNG
(CHEMBL4764646)
Show SMILES Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccc2cncn2c1
PDB

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>4.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLT3 (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50549854
PNG
(CHEMBL4784202)
Show SMILES C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cncc(C)c1)OCC1CC1 |r|
PDB

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>4.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLT3 (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50549855
PNG
(CHEMBL4756664)
Show SMILES C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cnc(C)c(C)c1)OCC1CC1 |r|
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>4.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLT3 (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50549828
PNG
(CHEMBL4795990)
Show SMILES Cc1nc(NC(=O)NCCc2cn(CC(F)F)cn2)sc1C#Cc1cccnc1
PDB
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>4.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GSK3B (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50549837
PNG
(CHEMBL4759283)
Show SMILES COc1cc(cnc1OC)C#Cc1sc(NC(=O)NCCOCC2CC2)nc1C
PDB
MMDB

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>4.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GSK3B (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50549846
PNG
(CHEMBL4764646)
Show SMILES Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccc2cncn2c1
PDB
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>4.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GSK3B (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50549854
PNG
(CHEMBL4784202)
Show SMILES C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cncc(C)c1)OCC1CC1 |r|
PDB
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>4.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GSK3B (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50549855
PNG
(CHEMBL4756664)
Show SMILES C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cnc(C)c(C)c1)OCC1CC1 |r|
PDB
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>4.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GSK3B (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50549828
PNG
(CHEMBL4795990)
Show SMILES Cc1nc(NC(=O)NCCc2cn(CC(F)F)cn2)sc1C#Cc1cccnc1
PDB
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>4.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IRAK4 (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00573
BindingDB Entry DOI: 10.7270/Q2HD8081
More data for this
Ligand-Target Pair
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