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BDBM50436453 CHEMBL2397197

SMILES: CC(C)(c1cc(ccn1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1Cl)C(F)(F)F

InChI Key: InChIKey=ZVNMRMIIUKAYGM-JTQLQIEISA-N

Data: 7 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 = 50436453   
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 beta isoform


(Homo sapiens (Human))
BDBM50436453
PNG
(CHEMBL2397197)
Show SMILES CC(C)(c1cc(ccn1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C18H19ClF3N5O2S/c1-17(2,18(20,21)22)11-8-9(5-6-24-11)12-13(19)25-15(30-12)26-16(29)27-7-3-4-10(27)14(23)28/h5-6,8,10H,3-4,7H2,1-2H3,(H2,23,28)(H,25,26,29)/t10-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110beta (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50436453
PNG
(CHEMBL2397197)
Show SMILES CC(C)(c1cc(ccn1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C18H19ClF3N5O2S/c1-17(2,18(20,21)22)11-8-9(5-6-24-11)12-13(19)25-15(30-12)26-16(29)27-7-3-4-10(27)14(23)28/h5-6,8,10H,3-4,7H2,1-2H3,(H2,23,28)(H,25,26,29)/t10-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110alpha (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50436453
PNG
(CHEMBL2397197)
Show SMILES CC(C)(c1cc(ccn1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C18H19ClF3N5O2S/c1-17(2,18(20,21)22)11-8-9(5-6-24-11)12-13(19)25-15(30-12)26-16(29)27-7-3-4-10(27)14(23)28/h5-6,8,10H,3-4,7H2,1-2H3,(H2,23,28)(H,25,26,29)/t10-/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110delta (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50436453
PNG
(CHEMBL2397197)
Show SMILES CC(C)(c1cc(ccn1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C18H19ClF3N5O2S/c1-17(2,18(20,21)22)11-8-9(5-6-24-11)12-13(19)25-15(30-12)26-16(29)27-7-3-4-10(27)14(23)28/h5-6,8,10H,3-4,7H2,1-2H3,(H2,23,28)(H,25,26,29)/t10-/m0/s1
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n/an/a 430n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110delta (unknown origin) using PIP2:PS as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50436453
PNG
(CHEMBL2397197)
Show SMILES CC(C)(c1cc(ccn1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C18H19ClF3N5O2S/c1-17(2,18(20,21)22)11-8-9(5-6-24-11)12-13(19)25-15(30-12)26-16(29)27-7-3-4-10(27)14(23)28/h5-6,8,10H,3-4,7H2,1-2H3,(H2,23,28)(H,25,26,29)/t10-/m0/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110beta (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50436453
PNG
(CHEMBL2397197)
Show SMILES CC(C)(c1cc(ccn1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C18H19ClF3N5O2S/c1-17(2,18(20,21)22)11-8-9(5-6-24-11)12-13(19)25-15(30-12)26-16(29)27-7-3-4-10(27)14(23)28/h5-6,8,10H,3-4,7H2,1-2H3,(H2,23,28)(H,25,26,29)/t10-/m0/s1
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PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110gamma (unknown origin) using PIP2:PS as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50436453
PNG
(CHEMBL2397197)
Show SMILES CC(C)(c1cc(ccn1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C18H19ClF3N5O2S/c1-17(2,18(20,21)22)11-8-9(5-6-24-11)12-13(19)25-15(30-12)26-16(29)27-7-3-4-10(27)14(23)28/h5-6,8,10H,3-4,7H2,1-2H3,(H2,23,28)(H,25,26,29)/t10-/m0/s1
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Article
PubMed
n/an/a 340n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110alpha (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair