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BDBM50357650 CHEMBL1914742

SMILES: CC(C)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1

InChI Key: InChIKey=MVPHPMFJESRQLE-UHFFFAOYSA-N

Data: 1 KI  6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50357650   
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))
BDBM50357650
PNG
(CHEMBL1914742)
Show SMILES CC(C)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H26ClFN6O2S/c1-17(2)33-9-11-34(12-10-33)25-16-29-22-8-3-18(13-23(22)31-25)19-14-24(26(27)30-15-19)32-37(35,36)21-6-4-20(28)5-7-21/h3-8,13-17,32H,9-12H2,1-2H3
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0.800n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisp...


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50357650
PNG
(CHEMBL1914742)
Show SMILES CC(C)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H26ClFN6O2S/c1-17(2)33-9-11-34(12-10-33)25-16-29-22-8-3-18(13-23(22)31-25)19-14-24(26(27)30-15-19)32-37(35,36)21-6-4-20(28)5-7-21/h3-8,13-17,32H,9-12H2,1-2H3
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n/an/a 5.40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser 473 in human U87MG cells


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50357650
PNG
(CHEMBL1914742)
Show SMILES CC(C)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H26ClFN6O2S/c1-17(2)33-9-11-34(12-10-33)25-16-29-22-8-3-18(13-23(22)31-25)19-14-24(26(27)30-15-19)32-37(35,36)21-6-4-20(28)5-7-21/h3-8,13-17,32H,9-12H2,1-2H3
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n/an/a 37n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR using GFP-tagged 4E-BP1 after 1 hr by spectrophotometric analysis


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50357650
PNG
(CHEMBL1914742)
Show SMILES CC(C)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H26ClFN6O2S/c1-17(2)33-9-11-34(12-10-33)25-16-29-22-8-3-18(13-23(22)31-25)19-14-24(26(27)30-15-19)32-37(35,36)21-6-4-20(28)5-7-21/h3-8,13-17,32H,9-12H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminus polyHis-tagged human recombinant PI3Kgamma expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisp...


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50357650
PNG
(CHEMBL1914742)
Show SMILES CC(C)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H26ClFN6O2S/c1-17(2)33-9-11-34(12-10-33)25-16-29-22-8-3-18(13-23(22)31-25)19-14-24(26(27)30-15-19)32-37(35,36)21-6-4-20(28)5-7-21/h3-8,13-17,32H,9-12H2,1-2H3
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n/an/a 5.60n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminus polyHis-tagged human recombinant PI3Kdelta expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisp...


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50357650
PNG
(CHEMBL1914742)
Show SMILES CC(C)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H26ClFN6O2S/c1-17(2)33-9-11-34(12-10-33)25-16-29-22-8-3-18(13-23(22)31-25)19-14-24(26(27)30-15-19)32-37(35,36)21-6-4-20(28)5-7-21/h3-8,13-17,32H,9-12H2,1-2H3
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Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser 473 in human U87MG cells


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50357650
PNG
(CHEMBL1914742)
Show SMILES CC(C)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H26ClFN6O2S/c1-17(2)33-9-11-34(12-10-33)25-16-29-22-8-3-18(13-23(22)31-25)19-14-24(26(27)30-15-19)32-37(35,36)21-6-4-20(28)5-7-21/h3-8,13-17,32H,9-12H2,1-2H3
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Article
PubMed
n/an/a 9.60n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminus polyHis-tagged human recombinant PI3Kbeta expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisph...


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair