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PubMed code 31757666

Compile Data Set for Download or QSAR

Found 314 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537742
PNG
(CHEMBL4634634 | US11179389, Compound 1-14)
Show SMILES C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1
Show InChI InChI=1S/C19H23N7O/c1-12-6-15(12)19(27)26-5-4-25(10-13(26)2)17-9-21-16(7-20)18(23-17)14-8-22-24(3)11-14/h8-9,11-13,15H,4-6,10H2,1-3H3/t12-,13-,15-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic c-Src


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537742
PNG
(CHEMBL4634634 | US11179389, Compound 1-14)
Show SMILES C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1
Show InChI InChI=1S/C19H23N7O/c1-12-6-15(12)19(27)26-5-4-25(10-13(26)2)17-9-21-16(7-20)18(23-17)14-8-22-24(3)11-14/h8-9,11-13,15H,4-6,10H2,1-3H3/t12-,13-,15-/m1/s1
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n/an/a<10n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of PI3K delta (unknown origin) by Adapta assay


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537739
PNG
(CHEMBL4648622 | US11230547, Compound 5-4)
Show SMILES C[C@@H]1CN(CCN1C(=O)C1CC1)c1ncc(C#N)c(n1)-c1cnn(C)c1
Show InChI InChI=1S/C18H21N7O/c1-12-10-24(5-6-25(12)17(26)13-3-4-13)18-20-8-14(7-19)16(22-18)15-9-21-23(2)11-15/h8-9,11-13H,3-6,10H2,1-2H3/t12-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged p110delta/untagged full-length p85alpha expressed in baculovirus infected Sf21 cell...


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537723
PNG
(CHEMBL4639951 | US11230547, Compound 1-16)
Show SMILES Cn1cc(cn1)-c1ncc(C#N)c(n1)N1C[C@@H]2C[C@H]1CN2c1cccc(F)c1
Show InChI InChI=1S/C20H18FN7/c1-26-10-14(9-24-26)19-23-8-13(7-22)20(25-19)28-12-17-6-18(28)11-27(17)16-4-2-3-15(21)5-16/h2-5,8-10,17-18H,6,11-12H2,1H3/t17-,18-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged p110delta/untagged full-length p85alpha expressed in baculovirus infected Sf21 cell...


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537738
PNG
(CHEMBL4633285 | US11230547, Compound 4-8)
Show SMILES C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1nc(ncc1C#N)-c1cnn(C)c1
Show InChI InChI=1S/C19H23N7O/c1-12-6-16(12)19(27)26-5-4-25(10-13(26)2)18-14(7-20)8-21-17(23-18)15-9-22-24(3)11-15/h8-9,11-13,16H,4-6,10H2,1-3H3/t12-,13-,16-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged p110delta/untagged full-length p85alpha expressed in baculovirus infected Sf21 cell...


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537741
PNG
(CHEMBL4637209 | US11179389, Compound 1-18)
Show SMILES C[C@@H]1CN(CCN1C(=O)C1CC1)c1cnc(C#N)c(n1)-c1cnn(C)c1
Show InChI InChI=1S/C18H21N7O/c1-12-10-24(5-6-25(12)18(26)13-3-4-13)16-9-20-15(7-19)17(22-16)14-8-21-23(2)11-14/h8-9,11-13H,3-6,10H2,1-2H3/t12-/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic c-Src


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537721
PNG
(CHEMBL4646478 | US11230547, Compound 1-17)
Show SMILES Fc1cccc(c1)N1C[C@@H]2C[C@H]1CN2c1nc(ncc1C#N)-c1ccnc2[nH]ccc12
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n/an/a 56n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged p110delta/untagged full-length p85alpha expressed in baculovirus infected Sf21 cell...


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537742
PNG
(CHEMBL4634634 | US11179389, Compound 1-14)
Show SMILES C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1
Show InChI InChI=1S/C19H23N7O/c1-12-6-15(12)19(27)26-5-4-25(10-13(26)2)17-9-21-16(7-20)18(23-17)14-8-22-24(3)11-14/h8-9,11-13,15H,4-6,10H2,1-3H3/t12-,13-,15-/m1/s1
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n/an/a 65n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of the fibroblast growth factor receptor (FGFR1)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537737
PNG
(CHEMBL4642953)
Show SMILES CC1CC1C(=O)N1CCN(C[C@H]1C)c1nc(ncc1C#N)-c1cnn(C)c1
Show InChI InChI=1S/C19H23N7O/c1-12-6-16(12)19(27)26-5-4-25(10-13(26)2)18-14(7-20)8-21-17(23-18)15-9-22-24(3)11-15/h8-9,11-13,16H,4-6,10H2,1-3H3/t12?,13-,16?/m1/s1
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n/an/a 79n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of the fibroblast growth factor receptor (FGFR1)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537724
PNG
(CHEMBL4643865 | US11230547, Compound 1-3)
Show SMILES Fc1cccc(c1)N1C[C@@H]2C[C@H]1CN2c1nc(ncc1C#N)N1Cc2cn[nH]c2C1
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n/an/a 86n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged p110delta/untagged full-length p85alpha expressed in baculovirus infected Sf21 cell...


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537734
PNG
(CHEMBL4642225 | US11230547, Compound 4-1)
Show SMILES C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(ncc1C#N)-c1cnn(C)c1
Show InChI InChI=1S/C18H21N7O/c1-12-10-24(5-6-25(12)18(26)13-3-4-13)17-14(7-19)8-20-16(22-17)15-9-21-23(2)11-15/h8-9,11-13H,3-6,10H2,1-2H3/t12-/m1/s1
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n/an/a 108n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic c-Src


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537725
PNG
(CHEMBL4635168 | US11230547, Compound 2-1)
Show SMILES Cn1cc(cn1)-c1ncc(C#N)c(n1)N1C[C@@H]2C[C@H]1CN2C(=O)C1CC1
Show InChI InChI=1S/C18H19N7O/c1-23-8-13(7-21-23)16-20-6-12(5-19)17(22-16)24-9-15-4-14(24)10-25(15)18(26)11-2-3-11/h6-8,11,14-15H,2-4,9-10H2,1H3/t14-,15-/m0/s1
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n/an/a 161n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged p110delta/untagged full-length p85alpha expressed in baculovirus infected Sf21 cell...


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537732
PNG
(CHEMBL4647402 | US11230547, Compound 3-3)
Show SMILES C[C@@H]1CN(CCN1c1cccc(F)c1)c1nc(ncc1C#N)-c1cnn(C)c1
Show InChI InChI=1S/C20H20FN7/c1-14-12-27(6-7-28(14)18-5-3-4-17(21)8-18)20-15(9-22)10-23-19(25-20)16-11-24-26(2)13-16/h3-5,8,10-11,13-14H,6-7,12H2,1-2H3/t14-/m1/s1
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n/an/a 165n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged p110delta/untagged full-length p85alpha expressed in baculovirus infected Sf21 cell...


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537740
PNG
(CHEMBL4649678 | US11179389, Compound 1-13)
Show SMILES C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(cnc1C#N)-c1cnn(C)c1
Show InChI InChI=1S/C18H21N7O/c1-12-10-24(5-6-25(12)18(26)13-3-4-13)17-15(7-19)20-9-16(22-17)14-8-21-23(2)11-14/h8-9,11-13H,3-6,10H2,1-2H3/t12-/m1/s1
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n/an/a 185n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum falcipain-3 using Z-Leu-Arg-AMC as substrate compound treated for 30 min before substrate addition by...


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537738
PNG
(CHEMBL4633285 | US11230547, Compound 4-8)
Show SMILES C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1nc(ncc1C#N)-c1cnn(C)c1
Show InChI InChI=1S/C19H23N7O/c1-12-6-16(12)19(27)26-5-4-25(10-13(26)2)18-14(7-20)8-21-17(23-18)15-9-22-24(3)11-15/h8-9,11-13,16H,4-6,10H2,1-3H3/t12-,13-,16-/m1/s1
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n/an/a 187n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of the fibroblast growth factor receptor (FGFR1)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537741
PNG
(CHEMBL4637209 | US11179389, Compound 1-18)
Show SMILES C[C@@H]1CN(CCN1C(=O)C1CC1)c1cnc(C#N)c(n1)-c1cnn(C)c1
Show InChI InChI=1S/C18H21N7O/c1-12-10-24(5-6-25(12)18(26)13-3-4-13)16-9-20-15(7-19)17(22-16)14-8-21-23(2)11-14/h8-9,11-13H,3-6,10H2,1-2H3/t12-/m1/s1
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n/an/a 219n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of the fibroblast growth factor receptor (FGFR1)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537725
PNG
(CHEMBL4635168 | US11230547, Compound 2-1)
Show SMILES Cn1cc(cn1)-c1ncc(C#N)c(n1)N1C[C@@H]2C[C@H]1CN2C(=O)C1CC1
Show InChI InChI=1S/C18H19N7O/c1-23-8-13(7-21-23)16-20-6-12(5-19)17(22-16)24-9-15-4-14(24)10-25(15)18(26)11-2-3-11/h6-8,11,14-15H,2-4,9-10H2,1H3/t14-,15-/m0/s1
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n/an/a 258n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of the fibroblast growth factor receptor (FGFR1)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537733
PNG
(CHEMBL4639546 | US11230547, Compound 4-2)
Show SMILES CCC(=O)N1CCN(C[C@H]1C)c1nc(ncc1C#N)-c1cnn(C)c1
Show InChI InChI=1S/C17H21N7O/c1-4-15(25)24-6-5-23(10-12(24)2)17-13(7-18)8-19-16(21-17)14-9-20-22(3)11-14/h8-9,11-12H,4-6,10H2,1-3H3/t12-/m1/s1
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n/an/a 263n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged p110delta/untagged full-length p85alpha expressed in baculovirus infected Sf21 cell...


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537734
PNG
(CHEMBL4642225 | US11230547, Compound 4-1)
Show SMILES C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(ncc1C#N)-c1cnn(C)c1
Show InChI InChI=1S/C18H21N7O/c1-12-10-24(5-6-25(12)18(26)13-3-4-13)17-14(7-19)8-20-16(22-17)15-9-21-23(2)11-15/h8-9,11-13H,3-6,10H2,1-2H3/t12-/m1/s1
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n/an/a 329n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of the fibroblast growth factor receptor (FGFR1)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537719
PNG
(CHEMBL4644618)
Show SMILES Fc1cccc(c1)N1C[C@@H]2C[C@H]1CN2c1nc(ncc1C#N)-c1cccnc1
Show InChI InChI=1S/C21H17FN6/c22-16-4-1-5-17(7-16)27-12-19-8-18(27)13-28(19)21-15(9-23)11-25-20(26-21)14-3-2-6-24-10-14/h1-7,10-11,18-19H,8,12-13H2/t18-,19-/m0/s1
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n/an/a 364n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged p110delta/untagged full-length p85alpha expressed in baculovirus infected Sf21 cell...


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537735
PNG
(CHEMBL4637750 | US11230547, Compound 4-3)
Show SMILES C[C@@H]1CN(CCN1C(=O)C1CCC1)c1nc(ncc1C#N)-c1cnn(C)c1
Show InChI InChI=1S/C19H23N7O/c1-13-11-25(6-7-26(13)19(27)14-4-3-5-14)18-15(8-20)9-21-17(23-18)16-10-22-24(2)12-16/h9-10,12-14H,3-7,11H2,1-2H3/t13-/m1/s1
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n/an/a 374n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged p110delta/untagged full-length p85alpha expressed in baculovirus infected Sf21 cell...


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537743
PNG
(CHEMBL4648691)
Show SMILES Clc1cccc(c1)N1C[C@@H]2C[C@H]1CN2c1nc(ncc1C#N)-c1cccnc1
Show InChI InChI=1S/C21H17ClN6/c22-16-4-1-5-17(7-16)27-12-19-8-18(27)13-28(19)21-15(9-23)11-25-20(26-21)14-3-2-6-24-10-14/h1-7,10-11,18-19H,8,12-13H2/t18-,19-/m0/s1
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n/an/a 474n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged p110delta/untagged full-length p85alpha expressed in baculovirus infected Sf21 cell...


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537737
PNG
(CHEMBL4642953)
Show SMILES CC1CC1C(=O)N1CCN(C[C@H]1C)c1nc(ncc1C#N)-c1cnn(C)c1
Show InChI InChI=1S/C19H23N7O/c1-12-6-16(12)19(27)26-5-4-25(10-13(26)2)18-14(7-20)8-21-17(23-18)15-9-22-24(3)11-15/h8-9,11-13,16H,4-6,10H2,1-3H3/t12?,13-,16?/m1/s1
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n/an/a 557n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of the fibroblast growth factor receptor (FGFR1)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537740
PNG
(CHEMBL4649678 | US11179389, Compound 1-13)
Show SMILES C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(cnc1C#N)-c1cnn(C)c1
Show InChI InChI=1S/C18H21N7O/c1-12-10-24(5-6-25(12)18(26)13-3-4-13)17-15(7-19)20-9-16(22-17)14-8-21-23(2)11-14/h8-9,11-13H,3-6,10H2,1-2H3/t12-/m1/s1
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n/an/a 737n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic c-Src


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537739
PNG
(CHEMBL4648622 | US11230547, Compound 5-4)
Show SMILES C[C@@H]1CN(CCN1C(=O)C1CC1)c1ncc(C#N)c(n1)-c1cnn(C)c1
Show InChI InChI=1S/C18H21N7O/c1-12-10-24(5-6-25(12)17(26)13-3-4-13)18-20-8-14(7-19)16(22-18)15-9-21-23(2)11-15/h8-9,11-13H,3-6,10H2,1-2H3/t12-/m1/s1
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n/an/a 764n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic c-Src


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537742
PNG
(CHEMBL4634634 | US11179389, Compound 1-14)
Show SMILES C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1
Show InChI InChI=1S/C19H23N7O/c1-12-6-15(12)19(27)26-5-4-25(10-13(26)2)17-9-21-16(7-20)18(23-17)14-8-22-24(3)11-14/h8-9,11-13,15H,4-6,10H2,1-3H3/t12-,13-,15-/m1/s1
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n/an/a 884n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic c-Src


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537722
PNG
(CHEMBL4643688 | US11230547, Compound 1-18)
Show SMILES Fc1cccc(c1)N1C[C@@H]2C[C@H]1CN2c1nc(ncc1C#N)-c1cnc2[nH]ccc2c1
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n/an/a 918n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged p110delta/untagged full-length p85alpha expressed in baculovirus infected Sf21 cell...


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50537742
PNG
(CHEMBL4634634 | US11179389, Compound 1-14)
Show SMILES C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1
Show InChI InChI=1S/C19H23N7O/c1-12-6-15(12)19(27)26-5-4-25(10-13(26)2)17-9-21-16(7-20)18(23-17)14-8-22-24(3)11-14/h8-9,11-13,15H,4-6,10H2,1-3H3/t12-,13-,15-/m1/s1
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n/an/a 945n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of the fibroblast growth factor receptor (FGFR1)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537730
PNG
(CHEMBL4649731 | US11230547, Compound 3-4)
Show SMILES Cn1cc(cn1)-c1ncc(C#N)c(n1)N1CC2CCC(C1)N2c1cccc(F)c1
Show InChI InChI=1S/C21H20FN7/c1-27-11-15(10-25-27)20-24-9-14(8-23)21(26-20)28-12-18-5-6-19(13-28)29(18)17-4-2-3-16(22)7-17/h2-4,7,9-11,18-19H,5-6,12-13H2,1H3
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n/an/a 1.03E+3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537736
PNG
(CHEMBL4646437 | US11230547, Compound 4-4)
Show SMILES C[C@@H]1CN(CCN1C(=O)C1(C)CC1)c1nc(ncc1C#N)-c1cnn(C)c1
Show InChI InChI=1S/C19H23N7O/c1-13-11-25(6-7-26(13)18(27)19(2)4-5-19)17-14(8-20)9-21-16(23-17)15-10-22-24(3)12-15/h9-10,12-13H,4-7,11H2,1-3H3/t13-/m1/s1
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n/an/a 1.05E+3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged p110delta/untagged full-length p85alpha expressed in baculovirus infected Sf21 cell...


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537726
PNG
(CHEMBL4635364 | US11230547, Compound 2-2)
Show SMILES Cn1cc(cn1)-c1ncc(C#N)c(n1)N1C[C@@H]2C[C@H]1CN2S(=O)(=O)C1CC1
Show InChI InChI=1S/C17H19N7O2S/c1-22-8-12(7-20-22)16-19-6-11(5-18)17(21-16)23-9-14-4-13(23)10-24(14)27(25,26)15-2-3-15/h6-8,13-15H,2-4,9-10H2,1H3/t13-,14-/m0/s1
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n/an/a 1.19E+3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged p110delta/untagged full-length p85alpha expressed in baculovirus infected Sf21 cell...


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537727
PNG
(CHEMBL4640850 | US11230547, Compound 2-3)
Show SMILES Cn1cc(cn1)-c1ncc(C#N)c(n1)N1C[C@@H]2C[C@H]1CN2CC1CC1
Show InChI InChI=1S/C18H21N7/c1-23-9-14(7-21-23)17-20-6-13(5-19)18(22-17)25-11-15-4-16(25)10-24(15)8-12-2-3-12/h6-7,9,12,15-16H,2-4,8,10-11H2,1H3/t15-,16-/m0/s1
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n/an/a 1.43E+3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged p110delta/untagged full-length p85alpha expressed in baculovirus infected Sf21 cell...


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537731
PNG
(CHEMBL4640567 | US11230547, Compound 3-1)
Show SMILES Cn1cc(cn1)-c1ncc(C#N)c(n1)N1CCN(c2cccc(F)c2)C(C)(C)C1
Show InChI InChI=1S/C21H22FN7/c1-21(2)14-28(7-8-29(21)18-6-4-5-17(22)9-18)20-15(10-23)11-24-19(26-20)16-12-25-27(3)13-16/h4-6,9,11-13H,7-8,14H2,1-3H3
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n/an/a 1.52E+3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged p110delta/untagged full-length p85alpha expressed in baculovirus infected Sf21 cell...


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537735
PNG
(CHEMBL4637750 | US11230547, Compound 4-3)
Show SMILES C[C@@H]1CN(CCN1C(=O)C1CCC1)c1nc(ncc1C#N)-c1cnn(C)c1
Show InChI InChI=1S/C19H23N7O/c1-13-11-25(6-7-26(13)19(27)14-4-3-5-14)18-15(8-20)9-21-17(23-18)16-10-22-24(2)12-16/h9-10,12-14H,3-7,11H2,1-2H3/t13-/m1/s1
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n/an/a 1.56E+3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of the fibroblast growth factor receptor (FGFR1)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537729
PNG
(CHEMBL4644811 | US11230547, Compound 3-2)
Show SMILES Cn1cc(cn1)-c1ncc(C#N)c(n1)N1CCN(CC1)c1cccc(F)c1
Show InChI InChI=1S/C19H18FN7/c1-25-13-15(12-23-25)18-22-11-14(10-21)19(24-18)27-7-5-26(6-8-27)17-4-2-3-16(20)9-17/h2-4,9,11-13H,5-8H2,1H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged p110delta/untagged full-length p85alpha expressed in baculovirus infected Sf21 cell...


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537728
PNG
(CHEMBL4646601 | US11230547, Compound 2-4)
Show SMILES CCNC(=O)N1C[C@@H]2C[C@H]1CN2c1nc(ncc1C#N)-c1cnn(C)c1
Show InChI InChI=1S/C17H20N8O/c1-3-19-17(26)25-10-13-4-14(25)9-24(13)16-11(5-18)6-20-15(22-16)12-7-21-23(2)8-12/h6-8,13-14H,3-4,9-10H2,1-2H3,(H,19,26)/t13-,14-/m0/s1
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n/an/a 2.19E+3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged p110delta/untagged full-length p85alpha expressed in baculovirus infected Sf21 cell...


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537733
PNG
(CHEMBL4639546 | US11230547, Compound 4-2)
Show SMILES CCC(=O)N1CCN(C[C@H]1C)c1nc(ncc1C#N)-c1cnn(C)c1
Show InChI InChI=1S/C17H21N7O/c1-4-15(25)24-6-5-23(10-12(24)2)17-13(7-18)8-19-16(21-17)14-9-20-22(3)11-14/h8-9,11-12H,4-6,10H2,1-3H3/t12-/m1/s1
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n/an/a 2.32E+3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of the fibroblast growth factor receptor (FGFR1)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537723
PNG
(CHEMBL4639951 | US11230547, Compound 1-16)
Show SMILES Cn1cc(cn1)-c1ncc(C#N)c(n1)N1C[C@@H]2C[C@H]1CN2c1cccc(F)c1
Show InChI InChI=1S/C20H18FN7/c1-26-10-14(9-24-26)19-23-8-13(7-22)20(25-19)28-12-17-6-18(28)11-27(17)16-4-2-3-15(21)5-16/h2-5,8-10,17-18H,6,11-12H2,1H3/t17-,18-/m0/s1
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n/an/a 2.96E+3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic c-Src


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537726
PNG
(CHEMBL4635364 | US11230547, Compound 2-2)
Show SMILES Cn1cc(cn1)-c1ncc(C#N)c(n1)N1C[C@@H]2C[C@H]1CN2S(=O)(=O)C1CC1
Show InChI InChI=1S/C17H19N7O2S/c1-22-8-12(7-20-22)16-19-6-11(5-18)17(21-16)23-9-14-4-13(23)10-24(14)27(25,26)15-2-3-15/h6-8,13-15H,2-4,9-10H2,1H3/t13-,14-/m0/s1
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n/an/a 4.12E+3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of the fibroblast growth factor receptor (FGFR1)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50537742
PNG
(CHEMBL4634634 | US11179389, Compound 1-14)
Show SMILES C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1
Show InChI InChI=1S/C19H23N7O/c1-12-6-15(12)19(27)26-5-4-25(10-13(26)2)17-9-21-16(7-20)18(23-17)14-8-22-24(3)11-14/h8-9,11-13,15H,4-6,10H2,1-3H3/t12-,13-,15-/m1/s1
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n/an/a 5.37E+3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of the fibroblast growth factor receptor (FGFR1)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537736
PNG
(CHEMBL4646437 | US11230547, Compound 4-4)
Show SMILES C[C@@H]1CN(CCN1C(=O)C1(C)CC1)c1nc(ncc1C#N)-c1cnn(C)c1
Show InChI InChI=1S/C19H23N7O/c1-13-11-25(6-7-26(13)18(27)19(2)4-5-19)17-14(8-20)9-21-16(23-17)15-10-22-24(3)12-15/h9-10,12-13H,4-7,11H2,1-3H3/t13-/m1/s1
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n/an/a 5.71E+3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of the fibroblast growth factor receptor (FGFR1)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537727
PNG
(CHEMBL4640850 | US11230547, Compound 2-3)
Show SMILES Cn1cc(cn1)-c1ncc(C#N)c(n1)N1C[C@@H]2C[C@H]1CN2CC1CC1
Show InChI InChI=1S/C18H21N7/c1-23-9-14(7-21-23)17-20-6-13(5-19)18(22-17)25-11-15-4-16(25)10-24(15)8-12-2-3-12/h6-7,9,12,15-16H,2-4,8,10-11H2,1H3/t15-,16-/m0/s1
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n/an/a 6.97E+3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic c-Src


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537720
PNG
(CHEMBL4641286)
Show SMILES Fc1cccc(c1)N1C[C@@H]2C[C@H]1CN2c1nc(ncc1C#N)-c1ccccc1
Show InChI InChI=1S/C22H18FN5/c23-17-7-4-8-18(9-17)27-13-20-10-19(27)14-28(20)22-16(11-24)12-25-21(26-22)15-5-2-1-3-6-15/h1-9,12,19-20H,10,13-14H2/t19-,20-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition Protein kinase C gamma


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537721
PNG
(CHEMBL4646478 | US11230547, Compound 1-17)
Show SMILES Fc1cccc(c1)N1C[C@@H]2C[C@H]1CN2c1nc(ncc1C#N)-c1ccnc2[nH]ccc12
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of the fibroblast growth factor receptor (FGFR1)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537732
PNG
(CHEMBL4647402 | US11230547, Compound 3-3)
Show SMILES C[C@@H]1CN(CCN1c1cccc(F)c1)c1nc(ncc1C#N)-c1cnn(C)c1
Show InChI InChI=1S/C20H20FN7/c1-14-12-27(6-7-28(14)18-5-3-4-17(21)8-18)20-15(9-22)10-23-19(25-20)16-11-24-26(2)13-16/h3-5,8,10-11,13-14H,6-7,12H2,1-2H3/t14-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of the fibroblast growth factor receptor (FGFR1)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537724
PNG
(CHEMBL4643865 | US11230547, Compound 1-3)
Show SMILES Fc1cccc(c1)N1C[C@@H]2C[C@H]1CN2c1nc(ncc1C#N)N1Cc2cn[nH]c2C1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic c-Src


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50537742
PNG
(CHEMBL4634634 | US11179389, Compound 1-14)
Show SMILES C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1
Show InChI InChI=1S/C19H23N7O/c1-12-6-15(12)19(27)26-5-4-25(10-13(26)2)17-9-21-16(7-20)18(23-17)14-8-22-24(3)11-14/h8-9,11-13,15H,4-6,10H2,1-3H3/t12-,13-,15-/m1/s1
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n/an/a 1.37E+4n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic c-Src


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50537742
PNG
(CHEMBL4634634 | US11179389, Compound 1-14)
Show SMILES C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1
Show InChI InChI=1S/C19H23N7O/c1-12-6-15(12)19(27)26-5-4-25(10-13(26)2)17-9-21-16(7-20)18(23-17)14-8-22-24(3)11-14/h8-9,11-13,15H,4-6,10H2,1-3H3/t12-,13-,15-/m1/s1
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n/an/a 1.38E+4n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic c-Src


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50537742
PNG
(CHEMBL4634634 | US11179389, Compound 1-14)
Show SMILES C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1
Show InChI InChI=1S/C19H23N7O/c1-12-6-15(12)19(27)26-5-4-25(10-13(26)2)17-9-21-16(7-20)18(23-17)14-8-22-24(3)11-14/h8-9,11-13,15H,4-6,10H2,1-3H3/t12-,13-,15-/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of the fibroblast growth factor receptor (FGFR1)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50537742
PNG
(CHEMBL4634634 | US11179389, Compound 1-14)
Show SMILES C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1
Show InChI InChI=1S/C19H23N7O/c1-12-6-15(12)19(27)26-5-4-25(10-13(26)2)17-9-21-16(7-20)18(23-17)14-8-22-24(3)11-14/h8-9,11-13,15H,4-6,10H2,1-3H3/t12-,13-,15-/m1/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%