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3 similar compounds to monomer 50154249

Compile data set for download or QSAR
Wt: 424.4
BDBM50119621
Wt: 508.4
BDBM50119627
Wt: 451.9
BDBM50154260

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50119621,50119627,50154260   
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 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50119621
PNG
(CHEMBL3618245)
Show SMILES COc1ncc(Nc2nc3ccc(cn3c2-c2nc(C)nc(N)n2)C(C)(C)O)cc1F
Show InChI InChI=1S/C20H21FN8O2/c1-10-24-16(28-19(22)25-10)15-17(26-12-7-13(21)18(31-4)23-8-12)27-14-6-5-11(9-29(14)15)20(2,3)30/h5-9,26,30H,1-4H3,(H2,22,24,25,28)
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0.600n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) by alpha screen assay


Bioorg Med Chem Lett 25: 4136-42 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.016
BindingDB Entry DOI: 10.7270/Q2R49SKC
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50119621
PNG
(CHEMBL3618245)
Show SMILES COc1ncc(Nc2nc3ccc(cn3c2-c2nc(C)nc(N)n2)C(C)(C)O)cc1F
Show InChI InChI=1S/C20H21FN8O2/c1-10-24-16(28-19(22)25-10)15-17(26-12-7-13(21)18(31-4)23-8-12)27-14-6-5-11(9-29(14)15)20(2,3)30/h5-9,26,30H,1-4H3,(H2,22,24,25,28)
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5.30n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) by alpha screen assay


Bioorg Med Chem Lett 25: 4136-42 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.016
BindingDB Entry DOI: 10.7270/Q2R49SKC
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50119621
PNG
(CHEMBL3618245)
Show SMILES COc1ncc(Nc2nc3ccc(cn3c2-c2nc(C)nc(N)n2)C(C)(C)O)cc1F
Show InChI InChI=1S/C20H21FN8O2/c1-10-24-16(28-19(22)25-10)15-17(26-12-7-13(21)18(31-4)23-8-12)27-14-6-5-11(9-29(14)15)20(2,3)30/h5-9,26,30H,1-4H3,(H2,22,24,25,28)
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11n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) by alpha screen assay


Bioorg Med Chem Lett 25: 4136-42 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.016
BindingDB Entry DOI: 10.7270/Q2R49SKC
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50119621
PNG
(CHEMBL3618245)
Show SMILES COc1ncc(Nc2nc3ccc(cn3c2-c2nc(C)nc(N)n2)C(C)(C)O)cc1F
Show InChI InChI=1S/C20H21FN8O2/c1-10-24-16(28-19(22)25-10)15-17(26-12-7-13(21)18(31-4)23-8-12)27-14-6-5-11(9-29(14)15)20(2,3)30/h5-9,26,30H,1-4H3,(H2,22,24,25,28)
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17n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) by alpha screen assay


Bioorg Med Chem Lett 25: 4136-42 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.016
BindingDB Entry DOI: 10.7270/Q2R49SKC
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50119621
PNG
(CHEMBL3618245)
Show SMILES COc1ncc(Nc2nc3ccc(cn3c2-c2nc(C)nc(N)n2)C(C)(C)O)cc1F
Show InChI InChI=1S/C20H21FN8O2/c1-10-24-16(28-19(22)25-10)15-17(26-12-7-13(21)18(31-4)23-8-12)27-14-6-5-11(9-29(14)15)20(2,3)30/h5-9,26,30H,1-4H3,(H2,22,24,25,28)
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n/an/a 4.5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human U87MG cells assessed as reduction in AKT Ser473 phosphorylation incubated for 2 hrs followed by compound wahout by a...


Bioorg Med Chem Lett 25: 4136-42 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.016
BindingDB Entry DOI: 10.7270/Q2R49SKC
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50119621
PNG
(CHEMBL3618245)
Show SMILES COc1ncc(Nc2nc3ccc(cn3c2-c2nc(C)nc(N)n2)C(C)(C)O)cc1F
Show InChI InChI=1S/C20H21FN8O2/c1-10-24-16(28-19(22)25-10)15-17(26-12-7-13(21)18(31-4)23-8-12)27-14-6-5-11(9-29(14)15)20(2,3)30/h5-9,26,30H,1-4H3,(H2,22,24,25,28)
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n/an/a 206n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged mTOR (1360 to 2549 residues) (unknown origin) using Ulight 4eBP1 peptide incubated for 90 mins by HTRF assay


Bioorg Med Chem Lett 25: 4136-42 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.016
BindingDB Entry DOI: 10.7270/Q2R49SKC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50119627
PNG
(CHEMBL3618441)
Show SMILES COc1cccc(CN\C(C)=N\c2ccc3C[C@@H](O)[C@H](NC(=O)c4ccc(Br)cc4)c3c2)c1
Show InChI InChI=1/C26H26BrN3O3/c1-16(28-15-17-4-3-5-22(12-17)33-2)29-21-11-8-19-13-24(31)25(23(19)14-21)30-26(32)18-6-9-20(27)10-7-18/h3-12,14,24-25,31H,13,15H2,1-2H3,(H,28,29)(H,30,32)/t24-,25-/s2
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n/an/an/an/a 198n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50154260
PNG
(CHEMBL3775536)
Show SMILES Clc1cccc(Nc2ncnc3cc4OCC(=O)N(CCCN5CCCCC5)c4cc23)c1
Show InChI InChI=1S/C24H26ClN5O2/c25-17-6-4-7-18(12-17)28-24-19-13-21-22(14-20(19)26-16-27-24)32-15-23(31)30(21)11-5-10-29-8-2-1-3-9-29/h4,6-7,12-14,16H,1-3,5,8-11,15H2,(H,26,27,28)
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n/an/a 116n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of wildtype EGFR (unknown origin) preincubated for 30 mins followed by addition of 2x ATP-substrate mixture measured after 1 hr by Kinase ...


Bioorg Med Chem Lett 26: 1571-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.009
BindingDB Entry DOI: 10.7270/Q20G3N1W
More data for this
Ligand-Target Pair