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BDBM50278718 CHEMBL4171158

SMILES: CCC(=O)N1CC[C@@H](C1)Oc1ncnc2CCN(Cc12)c1ccc(OC)nc1

InChI Key: InChIKey=SAUGHQPXXQTNJR-HNNXBMFYSA-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 = 50278718   
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))
BDBM50278718
PNG
(CHEMBL4171158)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2CCN(Cc12)c1ccc(OC)nc1 |r|
Show InChI InChI=1S/C20H25N5O3/c1-3-19(26)25-8-6-15(11-25)28-20-16-12-24(9-7-17(16)22-13-23-20)14-4-5-18(27-2)21-10-14/h4-5,10,13,15H,3,6-9,11-12H2,1-2H3/t15-/m0/s1
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human myristoylated PI3Kbeta catalytic domain expressed in Rat1 cells assessed as reduction in Akt phosphorylation at Ser47...


ACS Med Chem Lett 8: 975-980 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00293
BindingDB Entry DOI: 10.7270/Q2SX6GR0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50278718
PNG
(CHEMBL4171158)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2CCN(Cc12)c1ccc(OC)nc1 |r|
Show InChI InChI=1S/C20H25N5O3/c1-3-19(26)25-8-6-15(11-25)28-20-16-12-24(9-7-17(16)22-13-23-20)14-4-5-18(27-2)21-10-14/h4-5,10,13,15H,3,6-9,11-12H2,1-2H3/t15-/m0/s1
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)


ACS Med Chem Lett 8: 975-980 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00293
BindingDB Entry DOI: 10.7270/Q2SX6GR0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50278718
PNG
(CHEMBL4171158)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2CCN(Cc12)c1ccc(OC)nc1 |r|
Show InChI InChI=1S/C20H25N5O3/c1-3-19(26)25-8-6-15(11-25)28-20-16-12-24(9-7-17(16)22-13-23-20)14-4-5-18(27-2)21-10-14/h4-5,10,13,15H,3,6-9,11-12H2,1-2H3/t15-/m0/s1
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PubMed
n/an/a 5.39E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by SFLLRN-NH2 (at a concentration of 2 uM)


ACS Med Chem Lett 8: 975-980 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00293
BindingDB Entry DOI: 10.7270/Q2SX6GR0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50278718
PNG
(CHEMBL4171158)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2CCN(Cc12)c1ccc(OC)nc1 |r|
Show InChI InChI=1S/C20H25N5O3/c1-3-19(26)25-8-6-15(11-25)28-20-16-12-24(9-7-17(16)22-13-23-20)14-4-5-18(27-2)21-10-14/h4-5,10,13,15H,3,6-9,11-12H2,1-2H3/t15-/m0/s1
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n/an/a 8.94E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human myristoylated PI3Kbeta catalytic domain expressed in Rat1 cells assessed as reduction in Akt phosphorylation at Ser47...


ACS Med Chem Lett 8: 975-980 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00293
BindingDB Entry DOI: 10.7270/Q2SX6GR0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50278718
PNG
(CHEMBL4171158)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2CCN(Cc12)c1ccc(OC)nc1 |r|
Show InChI InChI=1S/C20H25N5O3/c1-3-19(26)25-8-6-15(11-25)28-20-16-12-24(9-7-17(16)22-13-23-20)14-4-5-18(27-2)21-10-14/h4-5,10,13,15H,3,6-9,11-12H2,1-2H3/t15-/m0/s1
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n/an/a>9.10E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using phosphatidyl inositol as substrate measured after 30 mins by Alexa Fluor647-labelled ADP tracer based ...


ACS Med Chem Lett 8: 975-980 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00293
BindingDB Entry DOI: 10.7270/Q2SX6GR0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50278718
PNG
(CHEMBL4171158)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2CCN(Cc12)c1ccc(OC)nc1 |r|
Show InChI InChI=1S/C20H25N5O3/c1-3-19(26)25-8-6-15(11-25)28-20-16-12-24(9-7-17(16)22-13-23-20)14-4-5-18(27-2)21-10-14/h4-5,10,13,15H,3,6-9,11-12H2,1-2H3/t15-/m0/s1
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PubMed
n/an/a 6.66E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human myristoylated PI3Kalpha catalytic domain expressed in Rat1 cells assessed as reduction in Akt phosphorylation at Ser4...


ACS Med Chem Lett 8: 975-980 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00293
BindingDB Entry DOI: 10.7270/Q2SX6GR0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50278718
PNG
(CHEMBL4171158)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2CCN(Cc12)c1ccc(OC)nc1 |r|
Show InChI InChI=1S/C20H25N5O3/c1-3-19(26)25-8-6-15(11-25)28-20-16-12-24(9-7-17(16)22-13-23-20)14-4-5-18(27-2)21-10-14/h4-5,10,13,15H,3,6-9,11-12H2,1-2H3/t15-/m0/s1
PDB
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UniChem

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Article
PubMed
n/an/a 132n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using phosphatidyl inositol as substrate measured after 60 mins by Alexa Fluor647-labelled ADP tracer based ...


ACS Med Chem Lett 8: 975-980 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00293
BindingDB Entry DOI: 10.7270/Q2SX6GR0
More data for this
Ligand-Target Pair