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BDBM50436460 CHEMBL2397191

SMILES: Cc1nc(NC(=O)N2CC[C@H]2C(N)=O)sc1-c1ccnc(n1)C(C)(C)C

InChI Key: InChIKey=YTZJKHFYHKBULK-NSHDSACASA-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 = 50436460   
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))
BDBM50436460
PNG
(CHEMBL2397191)
Show SMILES Cc1nc(NC(=O)N2CC[C@H]2C(N)=O)sc1-c1ccnc(n1)C(C)(C)C |r|
Show InChI InChI=1S/C17H22N6O2S/c1-9-12(10-5-7-19-14(21-10)17(2,3)4)26-15(20-9)22-16(25)23-8-6-11(23)13(18)24/h5,7,11H,6,8H2,1-4H3,(H2,18,24)(H,20,22,25)/t11-/m0/s1
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n/an/a 19n/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 alpha isoform


(Homo sapiens (Human))
BDBM50436460
PNG
(CHEMBL2397191)
Show SMILES Cc1nc(NC(=O)N2CC[C@H]2C(N)=O)sc1-c1ccnc(n1)C(C)(C)C |r|
Show InChI InChI=1S/C17H22N6O2S/c1-9-12(10-5-7-19-14(21-10)17(2,3)4)26-15(20-9)22-16(25)23-8-6-11(23)13(18)24/h5,7,11H,6,8H2,1-4H3,(H2,18,24)(H,20,22,25)/t11-/m0/s1
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n/an/a 230n/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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50436460
PNG
(CHEMBL2397191)
Show SMILES Cc1nc(NC(=O)N2CC[C@H]2C(N)=O)sc1-c1ccnc(n1)C(C)(C)C |r|
Show InChI InChI=1S/C17H22N6O2S/c1-9-12(10-5-7-19-14(21-10)17(2,3)4)26-15(20-9)22-16(25)23-8-6-11(23)13(18)24/h5,7,11H,6,8H2,1-4H3,(H2,18,24)(H,20,22,25)/t11-/m0/s1
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PubMed
n/an/a 1.20E+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 delta isoform


(Homo sapiens (Human))
BDBM50436460
PNG
(CHEMBL2397191)
Show SMILES Cc1nc(NC(=O)N2CC[C@H]2C(N)=O)sc1-c1ccnc(n1)C(C)(C)C |r|
Show InChI InChI=1S/C17H22N6O2S/c1-9-12(10-5-7-19-14(21-10)17(2,3)4)26-15(20-9)22-16(25)23-8-6-11(23)13(18)24/h5,7,11H,6,8H2,1-4H3,(H2,18,24)(H,20,22,25)/t11-/m0/s1
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n/an/a 290n/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))
BDBM50436460
PNG
(CHEMBL2397191)
Show SMILES Cc1nc(NC(=O)N2CC[C@H]2C(N)=O)sc1-c1ccnc(n1)C(C)(C)C |r|
Show InChI InChI=1S/C17H22N6O2S/c1-9-12(10-5-7-19-14(21-10)17(2,3)4)26-15(20-9)22-16(25)23-8-6-11(23)13(18)24/h5,7,11H,6,8H2,1-4H3,(H2,18,24)(H,20,22,25)/t11-/m0/s1
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n/an/a 6.40E+3n/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 gamma isoform


(Homo sapiens (Human))
BDBM50436460
PNG
(CHEMBL2397191)
Show SMILES Cc1nc(NC(=O)N2CC[C@H]2C(N)=O)sc1-c1ccnc(n1)C(C)(C)C |r|
Show InChI InChI=1S/C17H22N6O2S/c1-9-12(10-5-7-19-14(21-10)17(2,3)4)26-15(20-9)22-16(25)23-8-6-11(23)13(18)24/h5,7,11H,6,8H2,1-4H3,(H2,18,24)(H,20,22,25)/t11-/m0/s1
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n/an/a 320n/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 delta isoform


(Homo sapiens (Human))
BDBM50436460
PNG
(CHEMBL2397191)
Show SMILES Cc1nc(NC(=O)N2CC[C@H]2C(N)=O)sc1-c1ccnc(n1)C(C)(C)C |r|
Show InChI InChI=1S/C17H22N6O2S/c1-9-12(10-5-7-19-14(21-10)17(2,3)4)26-15(20-9)22-16(25)23-8-6-11(23)13(18)24/h5,7,11H,6,8H2,1-4H3,(H2,18,24)(H,20,22,25)/t11-/m0/s1
PDB
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UniChem

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Article
PubMed
n/an/a 1.60E+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