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BDBM50389040 CHEMBL2064334

SMILES: Cn1c(Cc2nc(cc(=O)[nH]2)N2CCOCC2)nc2ccc(F)cc12

InChI Key: InChIKey=HHOKAYOHVIAPCY-UHFFFAOYSA-N

Data: 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 6 hits for monomerid = 50389040   
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))
BDBM50389040
PNG
(CHEMBL2064334)
Show SMILES Cn1c(Cc2nc(cc(=O)[nH]2)N2CCOCC2)nc2ccc(F)cc12
Show InChI InChI=1S/C17H18FN5O2/c1-22-13-8-11(18)2-3-12(13)19-15(22)9-14-20-16(10-17(24)21-14)23-4-6-25-7-5-23/h2-3,8,10H,4-7,9H2,1H3,(H,20,21,24)
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Article
PubMed
n/an/a 1.06E+3n/an/an/an/an/an/a



Sanofi Research & Development

Curated by ChEMBL


Assay Description
Inhibition of poly-His tagged human PI3Kdelta expressed in baculovirus infected insect sf9 cells coexpressing p85alpha using PI(4,5)P2 as substrate p...


J Med Chem 55: 4788-805 (2012)


Article DOI: 10.1021/jm300241b
BindingDB Entry DOI: 10.7270/Q2R78G88
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50389040
PNG
(CHEMBL2064334)
Show SMILES Cn1c(Cc2nc(cc(=O)[nH]2)N2CCOCC2)nc2ccc(F)cc12
Show InChI InChI=1S/C17H18FN5O2/c1-22-13-8-11(18)2-3-12(13)19-15(22)9-14-20-16(10-17(24)21-14)23-4-6-25-7-5-23/h2-3,8,10H,4-7,9H2,1H3,(H,20,21,24)
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Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Sanofi Research & Development

Curated by ChEMBL


Assay Description
Inhibition of N-terminus poly-His tagged human PI3Kbeta expressed in baculovirus infected insect S21 cells coexpressing p85alpha using PI(4,5)P2 as s...


J Med Chem 55: 4788-805 (2012)


Article DOI: 10.1021/jm300241b
BindingDB Entry DOI: 10.7270/Q2R78G88
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50389040
PNG
(CHEMBL2064334)
Show SMILES Cn1c(Cc2nc(cc(=O)[nH]2)N2CCOCC2)nc2ccc(F)cc12
Show InChI InChI=1S/C17H18FN5O2/c1-22-13-8-11(18)2-3-12(13)19-15(22)9-14-20-16(10-17(24)21-14)23-4-6-25-7-5-23/h2-3,8,10H,4-7,9H2,1H3,(H,20,21,24)
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n/an/a 289n/an/an/an/an/an/a



Sanofi Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kbeta-mediated Akt phosphorylation at Ser473 residue expressed in PTEN-deficient human PC3 cells by chemiluminescence assay


J Med Chem 55: 4788-805 (2012)


Article DOI: 10.1021/jm300241b
BindingDB Entry DOI: 10.7270/Q2R78G88
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50389040
PNG
(CHEMBL2064334)
Show SMILES Cn1c(Cc2nc(cc(=O)[nH]2)N2CCOCC2)nc2ccc(F)cc12
Show InChI InChI=1S/C17H18FN5O2/c1-22-13-8-11(18)2-3-12(13)19-15(22)9-14-20-16(10-17(24)21-14)23-4-6-25-7-5-23/h2-3,8,10H,4-7,9H2,1H3,(H,20,21,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sanofi Research & Development

Curated by ChEMBL


Assay Description
Inhibition of mTOR


J Med Chem 55: 4788-805 (2012)


Article DOI: 10.1021/jm300241b
BindingDB Entry DOI: 10.7270/Q2R78G88
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50389040
PNG
(CHEMBL2064334)
Show SMILES Cn1c(Cc2nc(cc(=O)[nH]2)N2CCOCC2)nc2ccc(F)cc12
Show InChI InChI=1S/C17H18FN5O2/c1-22-13-8-11(18)2-3-12(13)19-15(22)9-14-20-16(10-17(24)21-14)23-4-6-25-7-5-23/h2-3,8,10H,4-7,9H2,1H3,(H,20,21,24)
PDB
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Sanofi Research & Development

Curated by ChEMBL


Assay Description
Inhibition of N-terminus poly-His tagged human PI3Kgamma expressed in baculovirus infected insect sf9 cells using PI(4,5)P2 as substrate preincubated...


J Med Chem 55: 4788-805 (2012)


Article DOI: 10.1021/jm300241b
BindingDB Entry DOI: 10.7270/Q2R78G88
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50389040
PNG
(CHEMBL2064334)
Show SMILES Cn1c(Cc2nc(cc(=O)[nH]2)N2CCOCC2)nc2ccc(F)cc12
Show InChI InChI=1S/C17H18FN5O2/c1-22-13-8-11(18)2-3-12(13)19-15(22)9-14-20-16(10-17(24)21-14)23-4-6-25-7-5-23/h2-3,8,10H,4-7,9H2,1H3,(H,20,21,24)
PDB
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Sanofi Research & Development

Curated by ChEMBL


Assay Description
Inhibition of N-terminus poly-His tagged human PI3Kalpha expressed in baculovirus infected insect sf9 cells coexpressing p85alpha using PI(4,5)P2 as ...


J Med Chem 55: 4788-805 (2012)


Article DOI: 10.1021/jm300241b
BindingDB Entry DOI: 10.7270/Q2R78G88
More data for this
Ligand-Target Pair