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Compile Data Set for Download or QSAR

Found 256 hits of ic50 for UniProtKB: P48426   
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
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611048
PNG
(BAY-091)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(C)c1F)C(O)=O
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n/an/a 1n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611049
PNG
(CHEMBL5280127)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(Cl)c1F)C(O)=O |r|
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n/an/a 2n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611049
PNG
(CHEMBL5280127)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(Cl)c1F)C(O)=O |r|
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n/an/a 3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611048
PNG
(BAY-091)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(C)c1F)C(O)=O
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n/an/a 3n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50610997
PNG
(CHEMBL5276719)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cnccc2c(N[C@H](CC)C(O)=O)c1C#N |r|
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n/an/a 5n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50610997
PNG
(CHEMBL5276719)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cnccc2c(N[C@H](CC)C(O)=O)c1C#N |r|
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n/an/a 5.5n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611050
PNG
(CHEMBL5270765)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cncc(Cl)c2c(N[C@H](CC)C(N)=O)c1C#N |r|
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n/an/a 7n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611048
PNG
(BAY-091)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(C)c1F)C(O)=O
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n/an/a 8n/an/an/an/an/an/a


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Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611046
PNG
(CHEMBL5290005)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(Cl)c1F)C(N)=O |r|
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More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50610996
PNG
(CHEMBL5271652)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cnccc2c(NC(C)C(O)=O)c1C#N
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More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611049
PNG
(CHEMBL5280127)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(Cl)c1F)C(O)=O |r|
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n/an/a 14n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611048
PNG
(BAY-091)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(C)c1F)C(O)=O
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n/an/a 16n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611047
PNG
(CHEMBL5277824)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(C)c1F)C(N)=O |r|
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n/an/a 19n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611050
PNG
(CHEMBL5270765)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cncc(Cl)c2c(N[C@H](CC)C(N)=O)c1C#N |r|
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More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50610997
PNG
(CHEMBL5276719)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cnccc2c(N[C@H](CC)C(O)=O)c1C#N |r|
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More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611049
PNG
(CHEMBL5280127)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(Cl)c1F)C(O)=O |r|
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More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611013
PNG
(CHEMBL5288492)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cnccc2c(N[C@H](CC)C(=O)NS(=O)(=O)C2CC2)c1C#N |r|
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More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611050
PNG
(CHEMBL5270765)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cncc(Cl)c2c(N[C@H](CC)C(N)=O)c1C#N |r|
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More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611020
PNG
(CHEMBL5282226)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1ccccc1F)C(N)=O |r|
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n/an/a 37n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611012
PNG
(CHEMBL5284796)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cnccc2c(N[C@H](CC)C(=O)NS(C)(=O)=O)c1C#N |r|
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n/an/a 40n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50615191
PNG
(CHEMBL5271804)
Show SMILES CN1C(=O)[C@@H](CC2CCCC2)N(C2CCCC2)c2nc(Nc3cc(Cl)c(O)c(Cl)c3)ncc12 |r|
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More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611023
PNG
(CHEMBL5273876)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1ccccc1OC)C(N)=O |r|
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n/an/a 42n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611043
PNG
(CHEMBL5272762)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1ccc(F)cc1OC)C(N)=O |r|
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n/an/a 47n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50610996
PNG
(CHEMBL5271652)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cnccc2c(NC(C)C(O)=O)c1C#N
PDB

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n/an/a 51n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50610997
PNG
(CHEMBL5276719)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cnccc2c(N[C@H](CC)C(O)=O)c1C#N |r|
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n/an/a 59n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611033
PNG
(CHEMBL5265849)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(C)c1)C(N)=O |r|
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n/an/a 61n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50610998
PNG
(CHEMBL5274835)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(Br)cc1)C(O)=O |r|
PDB

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n/an/a 66n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611046
PNG
(CHEMBL5290005)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(Cl)c1F)C(N)=O |r|
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n/an/a 69n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611047
PNG
(CHEMBL5277824)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(C)c1F)C(N)=O |r|
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n/an/a 71n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611032
PNG
(CHEMBL5275703)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(Cl)c1)C(N)=O |r|
PDB

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n/an/a 74n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611036
PNG
(CHEMBL5288989)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1ccc(F)cc1)C(N)=O |r|
PDB

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n/an/a 88n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611005
PNG
(CHEMBL5273777)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cnccc2c(N[C@H](CC)C(N)=O)c1C#N |r|
PDB

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More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611022
PNG
(CHEMBL5286700)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1ccccc1C)C(N)=O |r|
PDB

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n/an/a 110n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611046
PNG
(CHEMBL5290005)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(Cl)c1F)C(N)=O |r|
PDB

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More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50527943
PNG
(CHEMBL4447308)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cncc(\C=C2/SC(=O)NC2=O)c1
Show InChI InChI=1S/C16H13N3O4S2/c1-25(22,23)19-13-4-2-11(3-5-13)12-6-10(8-17-9-12)7-14-15(20)18-16(21)24-14/h2-9,19H,1H3,(H,18,20,21)/b14-7-
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n/an/a 130n/an/an/an/an/an/a



Dana-Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant PI5P4Kalpha (unknown origin) incubated for 1 hr in presence of DPPS and PI5P by ADP-Glo assay


J Med Chem 63: 4880-4895 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00227
BindingDB Entry DOI: 10.7270/Q2SB4964
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611013
PNG
(CHEMBL5288492)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cnccc2c(N[C@H](CC)C(=O)NS(=O)(=O)C2CC2)c1C#N |r|
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More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611012
PNG
(CHEMBL5284796)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cnccc2c(N[C@H](CC)C(=O)NS(C)(=O)=O)c1C#N |r|
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n/an/a 150n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611021
PNG
(CHEMBL5277327)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1ccccc1Cl)C(N)=O |r|
PDB

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n/an/a 160n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611047
PNG
(CHEMBL5277824)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(C)c1F)C(N)=O |r|
PDB

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n/an/a 170n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611031
PNG
(CHEMBL5266303)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(F)c1)C(N)=O |r|
PDB

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n/an/a 180n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50610997
PNG
(CHEMBL5276719)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cnccc2c(N[C@H](CC)C(O)=O)c1C#N |r|
PDB

UniProtKB/SwissProt

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n/an/a 180n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611016
PNG
(CHEMBL5288398)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cnccc2c(C[C@H](C)C(O)=O)c1C#N |r|
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Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611034
PNG
(CHEMBL5282526)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(OC)c1)C(N)=O |r|
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Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611038
PNG
(CHEMBL5289817)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1ccc(OC)cc1)C(N)=O |r|
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More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM6309
PNG
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)
Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)
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Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611050
PNG
(CHEMBL5270765)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cncc(Cl)c2c(N[C@H](CC)C(N)=O)c1C#N |r|
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Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611020
PNG
(CHEMBL5282226)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1ccccc1F)C(N)=O |r|
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n/an/a 220n/an/an/an/an/an/a


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Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611043
PNG
(CHEMBL5272762)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1ccc(F)cc1OC)C(N)=O |r|
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Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611032
PNG
(CHEMBL5275703)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(Cl)c1)C(N)=O |r|
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n/an/a 230n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611026
PNG
(CHEMBL5270656)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1ccccc1NC)C(N)=O |r|
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UniProtKB/SwissProt

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n/an/a 240n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
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