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5 similar compounds to monomer 50094941

Compile data set for download or QSAR
Wt: 425.5
BDBM50094952
Wt: 466.5
BDBM50094944
Wt: 425.5
BDBM50094951
Wt: 450.4
BDBM50094958
Wt: 450.4
BDBM50094960

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50094952,50094944,50094951,50094958,50094960   
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
Androgen Receptor


(Homo sapiens (Human))
BDBM50094958
PNG
(CHEMBL3588959)
Show SMILES CNC(=O)c1ccc(cc1F)N1[C@@H](C)C(=O)N(C1=S)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H17N3O/c1-2-22-19(23)16-13-21(12-14-8-4-3-5-9-14)17-11-7-6-10-15(17)18(16)20-22/h3-11,13H,2,12H2,1H3
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95n/an/an/an/an/an/an/an/a



Alla Chem LLC

Curated by ChEMBL


Assay Description
Partial agonist activity at androgen receptor (unknown origin)


Eur J Med Chem 99: 51-66 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.039
BindingDB Entry DOI: 10.7270/Q2NP265W
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50094960
PNG
(CHEMBL3589390)
Show SMILES CNC(=O)c1ccc(cc1F)N1C(C)C(=O)N(C1=S)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H19N3O/c28-24-21-17-26(15-18-9-3-1-4-10-18)22-14-8-7-13-20(22)23(21)25-27(24)16-19-11-5-2-6-12-19/h1-14,17H,15-16H2
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257n/an/an/an/an/an/an/an/a



Alla Chem LLC

Curated by ChEMBL


Assay Description
Partial agonist activity at androgen receptor (unknown origin)


Eur J Med Chem 99: 51-66 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.039
BindingDB Entry DOI: 10.7270/Q2NP265W
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM50094944
PNG
(CHEMBL3589373)
Show SMILES S=C1N2CCCC2c2c(nc(CN3CCOCC3)nc2N1c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C21H21N3O/c1-2-3-13-24-21(25)18-15-23(14-16-9-5-4-6-10-16)19-12-8-7-11-17(19)20(18)22-24/h4-12,15H,2-3,13-14H2,1H3
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n/an/a 7.88E+4n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of Glu-tagged PI3KC2beta (unknown origin) expressed in Sf9/Baculovirus system using [gamma-33P]ATP by scintillation proximity assay


Eur J Med Chem 99: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.036
BindingDB Entry DOI: 10.7270/Q2SF2XWT
More data for this
Ligand-Target Pair
PI3-kinase p110-alpha subunit


(Bos taurus)
BDBM50094951
PNG
(CHEMBL3589320)
Show SMILES CCN1C(=S)N2CCCC2c2c(nc(nc12)-c1cccc(OC)c1)N1CCOCC1
Show InChI InChI=1S/C20H19N3O/c1-14(2)23-20(24)17-13-22(12-15-8-4-3-5-9-15)18-11-7-6-10-16(18)19(17)21-23/h3-11,13-14H,12H2,1-2H3
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n/an/a 234n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged bovine p110alpha expressed in Sf9/Baculovirus system using [gamma-33P]ATP by scintillation proximity assay


Eur J Med Chem 99: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.036
BindingDB Entry DOI: 10.7270/Q2SF2XWT
More data for this
Ligand-Target Pair
PI3-kinase p110-alpha subunit


(Bos taurus)
BDBM50094952
PNG
(CHEMBL3589321)
Show SMILES CCN1C(=S)N2CCCC2c2c(nc(nc12)-c1ccc(OC)cc1)N1CCOCC1
Show InChI InChI=1S/C21H21N3O/c1-21(2,3)24-20(25)17-14-23(13-15-9-5-4-6-10-15)18-12-8-7-11-16(18)19(17)22-24/h4-12,14H,13H2,1-3H3
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n/an/a 387n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged bovine p110alpha expressed in Sf9/Baculovirus system using [gamma-33P]ATP by scintillation proximity assay


Eur J Med Chem 99: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.036
BindingDB Entry DOI: 10.7270/Q2SF2XWT
More data for this
Ligand-Target Pair
PI3-kinase p110-alpha subunit


(Bos taurus)
BDBM50094944
PNG
(CHEMBL3589373)
Show SMILES S=C1N2CCCC2c2c(nc(CN3CCOCC3)nc2N1c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C21H21N3O/c1-2-3-13-24-21(25)18-15-23(14-16-9-5-4-6-10-16)19-12-8-7-11-17(19)20(18)22-24/h4-12,15H,2-3,13-14H2,1H3
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n/an/a 2.34E+3n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged bovine p110alpha expressed in Sf9/Baculovirus system using [gamma-33P]ATP by scintillation proximity assay


Eur J Med Chem 99: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.036
BindingDB Entry DOI: 10.7270/Q2SF2XWT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50094951
PNG
(CHEMBL3589320)
Show SMILES CCN1C(=S)N2CCCC2c2c(nc(nc12)-c1cccc(OC)c1)N1CCOCC1
Show InChI InChI=1S/C20H19N3O/c1-14(2)23-20(24)17-13-22(12-15-8-4-3-5-9-15)18-11-7-6-10-16(18)19(17)21-23/h3-11,13-14H,12H2,1-2H3
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n/an/a 2.62E+4n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human p110beta expressed in Sf9/Baculovirus system using [gamma-33P]ATP by scintillation proximity assay


Eur J Med Chem 99: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.036
BindingDB Entry DOI: 10.7270/Q2SF2XWT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50094952
PNG
(CHEMBL3589321)
Show SMILES CCN1C(=S)N2CCCC2c2c(nc(nc12)-c1ccc(OC)cc1)N1CCOCC1
Show InChI InChI=1S/C21H21N3O/c1-21(2,3)24-20(25)17-14-23(13-15-9-5-4-6-10-15)18-12-8-7-11-16(18)19(17)22-24/h4-12,14H,13H2,1-3H3
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n/an/a 5.84E+4n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human p110beta expressed in Sf9/Baculovirus system using [gamma-33P]ATP by scintillation proximity assay


Eur J Med Chem 99: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.036
BindingDB Entry DOI: 10.7270/Q2SF2XWT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50094944
PNG
(CHEMBL3589373)
Show SMILES S=C1N2CCCC2c2c(nc(CN3CCOCC3)nc2N1c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C21H21N3O/c1-2-3-13-24-21(25)18-15-23(14-16-9-5-4-6-10-16)19-12-8-7-11-17(19)20(18)22-24/h4-12,15H,2-3,13-14H2,1H3
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n/an/a 3.23E+5n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human p110beta expressed in Sf9/Baculovirus system using [gamma-33P]ATP by scintillation proximity assay


Eur J Med Chem 99: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.036
BindingDB Entry DOI: 10.7270/Q2SF2XWT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50094951
PNG
(CHEMBL3589320)
Show SMILES CCN1C(=S)N2CCCC2c2c(nc(nc12)-c1cccc(OC)c1)N1CCOCC1
Show InChI InChI=1S/C20H19N3O/c1-14(2)23-20(24)17-13-22(12-15-8-4-3-5-9-15)18-11-7-6-10-16(18)19(17)21-23/h3-11,13-14H,12H2,1-2H3
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n/an/a 9.16E+4n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged p110gamma (unknown origin) expressed in Sf9/Baculovirus system using [gamma-33P]ATP by scintillation proximity assay


Eur J Med Chem 99: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.036
BindingDB Entry DOI: 10.7270/Q2SF2XWT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50094952
PNG
(CHEMBL3589321)
Show SMILES CCN1C(=S)N2CCCC2c2c(nc(nc12)-c1ccc(OC)cc1)N1CCOCC1
Show InChI InChI=1S/C21H21N3O/c1-21(2,3)24-20(25)17-14-23(13-15-9-5-4-6-10-15)18-12-8-7-11-16(18)19(17)22-24/h4-12,14H,13H2,1-3H3
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n/an/a 1.26E+5n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged p110gamma (unknown origin) expressed in Sf9/Baculovirus system using [gamma-33P]ATP by scintillation proximity assay


Eur J Med Chem 99: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.036
BindingDB Entry DOI: 10.7270/Q2SF2XWT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50094944
PNG
(CHEMBL3589373)
Show SMILES S=C1N2CCCC2c2c(nc(CN3CCOCC3)nc2N1c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C21H21N3O/c1-2-3-13-24-21(25)18-15-23(14-16-9-5-4-6-10-16)19-12-8-7-11-17(19)20(18)22-24/h4-12,15H,2-3,13-14H2,1H3
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n/an/a 7.82E+5n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged p110gamma (unknown origin) expressed in Sf9/Baculovirus system using [gamma-33P]ATP by scintillation proximity assay


Eur J Med Chem 99: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.036
BindingDB Entry DOI: 10.7270/Q2SF2XWT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50094951
PNG
(CHEMBL3589320)
Show SMILES CCN1C(=S)N2CCCC2c2c(nc(nc12)-c1cccc(OC)c1)N1CCOCC1
Show InChI InChI=1S/C20H19N3O/c1-14(2)23-20(24)17-13-22(12-15-8-4-3-5-9-15)18-11-7-6-10-16(18)19(17)21-23/h3-11,13-14H,12H2,1-2H3
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n/an/a 1.46E+4n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged p110delta (unknown origin) expressed in Sf9/Baculovirus system using [gamma-33P]ATP by scintillation proximity assay


Eur J Med Chem 99: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.036
BindingDB Entry DOI: 10.7270/Q2SF2XWT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50094952
PNG
(CHEMBL3589321)
Show SMILES CCN1C(=S)N2CCCC2c2c(nc(nc12)-c1ccc(OC)cc1)N1CCOCC1
Show InChI InChI=1S/C21H21N3O/c1-21(2,3)24-20(25)17-14-23(13-15-9-5-4-6-10-15)18-12-8-7-11-16(18)19(17)22-24/h4-12,14H,13H2,1-3H3
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n/an/a 2.01E+4n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged p110delta (unknown origin) expressed in Sf9/Baculovirus system using [gamma-33P]ATP by scintillation proximity assay


Eur J Med Chem 99: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.036
BindingDB Entry DOI: 10.7270/Q2SF2XWT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM50094952
PNG
(CHEMBL3589321)
Show SMILES CCN1C(=S)N2CCCC2c2c(nc(nc12)-c1ccc(OC)cc1)N1CCOCC1
Show InChI InChI=1S/C21H21N3O/c1-21(2,3)24-20(25)17-14-23(13-15-9-5-4-6-10-15)18-12-8-7-11-16(18)19(17)22-24/h4-12,14H,13H2,1-3H3
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n/an/a 1.36E+4n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of Glu-tagged PI3KC2beta (unknown origin) expressed in Sf9/Baculovirus system using [gamma-33P]ATP by scintillation proximity assay


Eur J Med Chem 99: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.036
BindingDB Entry DOI: 10.7270/Q2SF2XWT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50094944
PNG
(CHEMBL3589373)
Show SMILES S=C1N2CCCC2c2c(nc(CN3CCOCC3)nc2N1c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C21H21N3O/c1-2-3-13-24-21(25)18-15-23(14-16-9-5-4-6-10-16)19-12-8-7-11-17(19)20(18)22-24/h4-12,15H,2-3,13-14H2,1H3
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n/an/a 1.20E+5n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged p110delta (unknown origin) expressed in Sf9/Baculovirus system using [gamma-33P]ATP by scintillation proximity assay


Eur J Med Chem 99: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.036
BindingDB Entry DOI: 10.7270/Q2SF2XWT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM50094951
PNG
(CHEMBL3589320)
Show SMILES CCN1C(=S)N2CCCC2c2c(nc(nc12)-c1cccc(OC)c1)N1CCOCC1
Show InChI InChI=1S/C20H19N3O/c1-14(2)23-20(24)17-13-22(12-15-8-4-3-5-9-15)18-11-7-6-10-16(18)19(17)21-23/h3-11,13-14H,12H2,1-2H3
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n/an/a 2.08E+4n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of Glu-tagged PI3KC2beta (unknown origin) expressed in Sf9/Baculovirus system using [gamma-33P]ATP by scintillation proximity assay


Eur J Med Chem 99: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.036
BindingDB Entry DOI: 10.7270/Q2SF2XWT
More data for this
Ligand-Target Pair