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14 similar compounds to monomer 50298309

Compile data set for download or QSAR
Wt: 383.4
BDBM92573
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Wt: 357.8
BDBM92574
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Wt: 357.8
BDBM50298310
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Wt: 323.3
BDBM50298311
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Wt: 371.4
BDBM50298315
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Wt: 433.4
BDBM50298318
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Wt: 433.4
BDBM50298319
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Wt: 341.3
BDBM50298354
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Wt: 326.3
BDBM50298366
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Wt: 340.3
BDBM50328064
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Wt: 354.4
BDBM50328065
Wt: 368.4
BDBM50328066
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Wt: 388.4
BDBM50328067
Wt: 338.4
BDBM50328068
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 92573,92574,50298310,50298311,50298315,50298318,50298319,50298354,50298366,50328064,50328065,50328066,50328067,50328068   
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 alpha isoform


(Homo sapiens (Human))
BDBM92573
PNG
(ETP-8162)
Show SMILES COc1cccc(Nc2nc(nc3n(C)ncc23)N2CCN(CCO)CC2)c1
Show InChI InChI=1S/C19H25N7O2/c1-24-18-16(13-20-24)17(21-14-4-3-5-15(12-14)28-2)22-19(23-18)26-8-6-25(7-9-26)10-11-27/h3-5,12-13,27H,6-11H2,1-2H3,(H,21,22,23)
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n/an/a 1.26E+4n/an/an/an/an/an/a



Spanish National Cancer Research Center (CNIO)



Assay Description
Kinase assay using PI3K.


J Biol Chem 284: 28392-400 (2009)


Article DOI: 10.1074/jbc.M109.038984
BindingDB Entry DOI: 10.7270/Q2N01556
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50328068
PNG
(CHEMBL1258577 | N-(3-methoxyphenyl)-1-methyl-6-(pi...)
Show SMILES COc1cccc(Nc2nc(nc3n(C)ncc23)N2CCCCC2)c1
Show InChI InChI=1S/C18H22N6O/c1-23-17-15(12-19-23)16(20-13-7-6-8-14(11-13)25-2)21-18(22-17)24-9-4-3-5-10-24/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,20,21,22)
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n/an/a 359n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 6048-51 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.067
BindingDB Entry DOI: 10.7270/Q2ST7Q28
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM92574
PNG
(ETP-5935)
Show SMILES CN1CCN(CC1)c1nc(Nc2cccc(Cl)c2)c2cnn(C)c2n1
Show InChI InChI=1S/C17H20ClN7/c1-23-6-8-25(9-7-23)17-21-15(14-11-19-24(2)16(14)22-17)20-13-5-3-4-12(18)10-13/h3-5,10-11H,6-9H2,1-2H3,(H,20,21,22)
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n/an/a 4.90E+3n/an/an/an/an/an/a



Spanish National Cancer Research Center (CNIO)



Assay Description
Kinase assay using PI3K.


J Biol Chem 284: 28392-400 (2009)


Article DOI: 10.1074/jbc.M109.038984
BindingDB Entry DOI: 10.7270/Q2N01556
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50298310
PNG
(CHEMBL584389 | N-(4-chlorophenyl)-1-methyl-6-(4-me...)
Show SMILES CN1CCN(CC1)c1nc(Nc2ccc(Cl)cc2)c2cnn(C)c2n1
Show InChI InChI=1S/C17H20ClN7/c1-23-7-9-25(10-8-23)17-21-15(14-11-19-24(2)16(14)22-17)20-13-5-3-12(18)4-6-13/h3-6,11H,7-10H2,1-2H3,(H,20,21,22)
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n/an/a 29.4n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human recombinant serotonin 5-HT2C expressed in CHO-K1 cells


Bioorg Med Chem 17: 4559-68 (2009)


Article DOI: 10.1016/j.bmc.2009.05.003
BindingDB Entry DOI: 10.7270/Q20V8CV1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50298311
PNG
(1-methyl-6-(4-methylpiperazin-1-yl)-N-phenyl-1H-py...)
Show SMILES CN1CCN(CC1)c1nc(Nc2ccccc2)c2cnn(C)c2n1
Show InChI InChI=1S/C17H21N7/c1-22-8-10-24(11-9-22)17-20-15(19-13-6-4-3-5-7-13)14-12-18-23(2)16(14)21-17/h3-7,12H,8-11H2,1-2H3,(H,19,20,21)
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n/an/a 86.9n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human recombinant serotonin 5-HT2C expressed in CHO-K1 cells


Bioorg Med Chem 17: 4559-68 (2009)


Article DOI: 10.1016/j.bmc.2009.05.003
BindingDB Entry DOI: 10.7270/Q20V8CV1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50298315
PNG
(2-(4-(4-(4-fluorophenylamino)-1-methyl-1H-pyrazolo...)
Show SMILES Cn1ncc2c(Nc3ccc(F)cc3)nc(nc12)N1CCN(CCO)CC1
Show InChI InChI=1S/C18H22FN7O/c1-24-17-15(12-20-24)16(21-14-4-2-13(19)3-5-14)22-18(23-17)26-8-6-25(7-9-26)10-11-27/h2-5,12,27H,6-11H2,1H3,(H,21,22,23)
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n/an/a 494n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human recombinant serotonin 5-HT2C expressed in CHO-K1 cells


Bioorg Med Chem 17: 4559-68 (2009)


Article DOI: 10.1016/j.bmc.2009.05.003
BindingDB Entry DOI: 10.7270/Q20V8CV1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50298318
PNG
(6-(4-(4-fluorophenyl)piperazin-1-yl)-N-(3-methoxyp...)
Show SMILES COc1cccc(Nc2nc(nc3n(C)ncc23)N2CCN(CC2)c2ccc(F)cc2)c1
Show InChI InChI=1S/C23H24FN7O/c1-29-22-20(15-25-29)21(26-17-4-3-5-19(14-17)32-2)27-23(28-22)31-12-10-30(11-13-31)18-8-6-16(24)7-9-18/h3-9,14-15H,10-13H2,1-2H3,(H,26,27,28)
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n/an/a 1.09E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human recombinant serotonin 5-HT2C expressed in CHO-K1 cells


Bioorg Med Chem 17: 4559-68 (2009)


Article DOI: 10.1016/j.bmc.2009.05.003
BindingDB Entry DOI: 10.7270/Q20V8CV1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50298319
PNG
(6-(4-(4-fluorophenyl)piperazin-1-yl)-N-(4-methoxyp...)
Show SMILES COc1ccc(Nc2nc(nc3n(C)ncc23)N2CCN(CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H24FN7O/c1-29-22-20(15-25-29)21(26-17-5-9-19(32-2)10-6-17)27-23(28-22)31-13-11-30(12-14-31)18-7-3-16(24)4-8-18/h3-10,15H,11-14H2,1-2H3,(H,26,27,28)
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n/an/a 1.18E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human recombinant serotonin 5-HT2C expressed in CHO-K1 cells


Bioorg Med Chem 17: 4559-68 (2009)


Article DOI: 10.1016/j.bmc.2009.05.003
BindingDB Entry DOI: 10.7270/Q20V8CV1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50298354
PNG
(CHEMBL578653 | N-(4-fluorophenyl)-1-methyl-6-(4-me...)
Show SMILES CN1CCN(CC1)c1nc(Nc2ccc(F)cc2)c2cnn(C)c2n1
Show InChI InChI=1S/C17H20FN7/c1-23-7-9-25(10-8-23)17-21-15(14-11-19-24(2)16(14)22-17)20-13-5-3-12(18)4-6-13/h3-6,11H,7-10H2,1-2H3,(H,20,21,22)
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n/an/a 20.1n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human recombinant serotonin 5-HT2C expressed in CHO-K1 cells


Bioorg Med Chem 17: 4559-68 (2009)


Article DOI: 10.1016/j.bmc.2009.05.003
BindingDB Entry DOI: 10.7270/Q20V8CV1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50298366
PNG
(CHEMBL574984 | N6,N6-diethyl-N4-(3-methoxyphenyl)-...)
Show SMILES CCN(CC)c1nc(Nc2cccc(OC)c2)c2cnn(C)c2n1
Show InChI InChI=1S/C17H22N6O/c1-5-23(6-2)17-20-15(14-11-18-22(3)16(14)21-17)19-12-8-7-9-13(10-12)24-4/h7-11H,5-6H2,1-4H3,(H,19,20,21)
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n/an/a 5.42E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human recombinant serotonin 5-HT2C expressed in CHO-K1 cells


Bioorg Med Chem 17: 4559-68 (2009)


Article DOI: 10.1016/j.bmc.2009.05.003
BindingDB Entry DOI: 10.7270/Q20V8CV1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50328064
PNG
(CHEMBL1258354 | ETP-7382 | N-(3-methoxyphenyl)-1-m...)
Show SMILES COc1cccc(Nc2nc(nc3n(C)ncc23)N2CCOCC2)c1
Show InChI InChI=1S/C17H20N6O2/c1-22-16-14(11-18-22)15(19-12-4-3-5-13(10-12)24-2)20-17(21-16)23-6-8-25-9-7-23/h3-5,10-11H,6-9H2,1-2H3,(H,19,20,21)
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n/an/a 162n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 6048-51 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.067
BindingDB Entry DOI: 10.7270/Q2ST7Q28
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50328065
PNG
(1-(4-(3-methoxyphenylamino)-1-methyl-1H-pyrazolo[3...)
Show SMILES COc1cccc(Nc2nc(nc3n(C)ncc23)N2CCC(O)CC2)c1
Show InChI InChI=1S/C18H22N6O2/c1-23-17-15(11-19-23)16(20-12-4-3-5-14(10-12)26-2)21-18(22-17)24-8-6-13(25)7-9-24/h3-5,10-11,13,25H,6-9H2,1-2H3,(H,20,21,22)
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n/an/a 430n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 6048-51 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.067
BindingDB Entry DOI: 10.7270/Q2ST7Q28
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50328066
PNG
(6-(2,6-dimethylmorpholino)-N-(3-methoxyphenyl)-1-m...)
Show SMILES COc1cccc(Nc2nc(nc3n(C)ncc23)N2CC(C)OC(C)C2)c1
Show InChI InChI=1S/C19H24N6O2/c1-12-10-25(11-13(2)27-12)19-22-17(16-9-20-24(3)18(16)23-19)21-14-6-5-7-15(8-14)26-4/h5-9,12-13H,10-11H2,1-4H3,(H,21,22,23)
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n/an/a 370n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 6048-51 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.067
BindingDB Entry DOI: 10.7270/Q2ST7Q28
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50328067
PNG
(6-(1,1-dioxidothiomorpholin-4-yl)-N-(3-methoxyphen...)
Show SMILES COc1cccc(Nc2nc(nc3n(C)ncc23)N2CCS(=O)(=O)CC2)c1
Show InChI InChI=1S/C17H20N6O3S/c1-22-16-14(11-18-22)15(19-12-4-3-5-13(10-12)26-2)20-17(21-16)23-6-8-27(24,25)9-7-23/h3-5,10-11H,6-9H2,1-2H3,(H,19,20,21)
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n/an/a 75n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 6048-51 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.067
BindingDB Entry DOI: 10.7270/Q2ST7Q28
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50328064
PNG
(CHEMBL1258354 | ETP-7382 | N-(3-methoxyphenyl)-1-m...)
Show SMILES COc1cccc(Nc2nc(nc3n(C)ncc23)N2CCOCC2)c1
Show InChI InChI=1S/C17H20N6O2/c1-22-16-14(11-18-22)15(19-12-4-3-5-13(10-12)24-2)20-17(21-16)23-6-8-25-9-7-23/h3-5,10-11H,6-9H2,1-2H3,(H,19,20,21)
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n/an/a 400n/an/an/an/an/an/a



Spanish National Cancer Research Center (CNIO)



Assay Description
Kinase assay using PI3K.


J Biol Chem 284: 28392-400 (2009)


Article DOI: 10.1074/jbc.M109.038984
BindingDB Entry DOI: 10.7270/Q2N01556
More data for this
Ligand-Target Pair