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SMILES: C[C@@H](C1CC1)N1Cc2cc-3cc(c2C1=O)S(=O)(=O)NCCOCCNC(=O)c1cccc(Nc2nc(C)c-3s2)n1

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50579668   
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 gamma isoform


(Homo sapiens (Human))
BDBM50579668
PNG
(CHEMBL5091438)
Show SMILES C[C@@H](C1CC1)N1Cc2cc-3cc(c2C1=O)S(=O)(=O)NCCOCCNC(=O)c1cccc(Nc2nc(C)c-3s2)n1 |r|
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human PI3Kgamma assessed as reduction in ADP production using Dic8-PIP2 as substrate pre-treated for 15 mins followed by su...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00434
BindingDB Entry DOI: 10.7270/Q24Q7ZVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50579668
PNG
(CHEMBL5091438)
Show SMILES C[C@@H](C1CC1)N1Cc2cc-3cc(c2C1=O)S(=O)(=O)NCCOCCNC(=O)c1cccc(Nc2nc(C)c-3s2)n1 |r|
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.631n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human PI3Kdelta assessed as reduction in ADP production using Dic8-PIP2 as substrate pre-treated for 15 mins followed by su...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00434
BindingDB Entry DOI: 10.7270/Q24Q7ZVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Mus musculus (Mouse))
BDBM50579668
PNG
(CHEMBL5091438)
Show SMILES C[C@@H](C1CC1)N1Cc2cc-3cc(c2C1=O)S(=O)(=O)NCCOCCNC(=O)c1cccc(Nc2nc(C)c-3s2)n1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.794n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma in C5a-stimulated mouse RAW 264 cells assessed as inhibition of AKT phosphorylation at Ser473 residue Pretreated for 15 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00434
BindingDB Entry DOI: 10.7270/Q24Q7ZVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50579668
PNG
(CHEMBL5091438)
Show SMILES C[C@@H](C1CC1)N1Cc2cc-3cc(c2C1=O)S(=O)(=O)NCCOCCNC(=O)c1cccc(Nc2nc(C)c-3s2)n1 |r|
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta in anti-IgM-stimulated human JeKo-1 cells assessed as inhibition of AKT phosphorylation at Ser473 residue incubated for 60 mi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00434
BindingDB Entry DOI: 10.7270/Q24Q7ZVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50579668
PNG
(CHEMBL5091438)
Show SMILES C[C@@H](C1CC1)N1Cc2cc-3cc(c2C1=O)S(=O)(=O)NCCOCCNC(=O)c1cccc(Nc2nc(C)c-3s2)n1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI4KB (unknown origin) assessed as reduction in substrate phosphorylation by FRET Adapta assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00434
BindingDB Entry DOI: 10.7270/Q24Q7ZVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha


(Homo sapiens (Human))
BDBM50579668
PNG
(CHEMBL5091438)
Show SMILES C[C@@H](C1CC1)N1Cc2cc-3cc(c2C1=O)S(=O)(=O)NCCOCCNC(=O)c1cccc(Nc2nc(C)c-3s2)n1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 316n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIK3C2A (unknown origin) assessed as reduction in substrate phosphorylation by FRET Adapta assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00434
BindingDB Entry DOI: 10.7270/Q24Q7ZVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM50579668
PNG
(CHEMBL5091438)
Show SMILES C[C@@H](C1CC1)N1Cc2cc-3cc(c2C1=O)S(=O)(=O)NCCOCCNC(=O)c1cccc(Nc2nc(C)c-3s2)n1 |r|
NCI pathway
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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.794n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIK3C2B (unknown origin) assessed as reduction in substrate phosphorylation by FRET Adapta assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00434
BindingDB Entry DOI: 10.7270/Q24Q7ZVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM50579668
PNG
(CHEMBL5091438)
Show SMILES C[C@@H](C1CC1)N1Cc2cc-3cc(c2C1=O)S(=O)(=O)NCCOCCNC(=O)c1cccc(Nc2nc(C)c-3s2)n1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIK3C3 (unknown origin) assessed as reduction in substrate phosphorylation by FRET Adapta assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00434
BindingDB Entry DOI: 10.7270/Q24Q7ZVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase alpha


(Homo sapiens (Human))
BDBM50579668
PNG
(CHEMBL5091438)
Show SMILES C[C@@H](C1CC1)N1Cc2cc-3cc(c2C1=O)S(=O)(=O)NCCOCCNC(=O)c1cccc(Nc2nc(C)c-3s2)n1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI4KA (unknown origin) assessed as reduction in substrate phosphorylation by FRET Adapta assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00434
BindingDB Entry DOI: 10.7270/Q24Q7ZVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50579668
PNG
(CHEMBL5091438)
Show SMILES C[C@@H](C1CC1)N1Cc2cc-3cc(c2C1=O)S(=O)(=O)NCCOCCNC(=O)c1cccc(Nc2nc(C)c-3s2)n1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human PI3Kalpha assessed as reduction in ADP production using Dic8-PIP2 as substrate pre-treated for 15 mins followed by su...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00434
BindingDB Entry DOI: 10.7270/Q24Q7ZVJ
More data for this
Ligand-Target Pair