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SMILES: Cc1ncc(s1)-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1

InChI Key:

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 3 hits for monomerid = 50574845   
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))
BDBM50574845
PNG
(CHEMBL4866794)
Show SMILES Cc1ncc(s1)-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:27.30,wD:24.26,(31.47,-5.01,;30,-5.48,;29.52,-6.95,;27.98,-6.95,;27.51,-5.48,;28.75,-4.58,;25.73,-4.57,;24.4,-5.34,;23.07,-4.56,;23.06,-3.03,;24.39,-2.26,;25.73,-3.03,;27.06,-2.25,;21.74,-5.34,;21.74,-6.87,;20.41,-7.64,;19.07,-6.88,;19.07,-5.35,;20.4,-4.57,;20.4,-3.03,;20.41,-9.18,;19.63,-10.51,;18.87,-9.17,;21.75,-9.95,;23.08,-9.18,;24.41,-9.94,;25.74,-9.18,;25.74,-7.64,;27.07,-6.87,;24.41,-6.86,;23.08,-7.64,)|
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using phosphatidylinositol as substrate incubated for 30 to 60 mins in presence of ATP by TR-FRET based Adap...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00986
BindingDB Entry DOI: 10.7270/Q27M0CRD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50574845
PNG
(CHEMBL4866794)
Show SMILES Cc1ncc(s1)-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:27.30,wD:24.26,(31.47,-5.01,;30,-5.48,;29.52,-6.95,;27.98,-6.95,;27.51,-5.48,;28.75,-4.58,;25.73,-4.57,;24.4,-5.34,;23.07,-4.56,;23.06,-3.03,;24.39,-2.26,;25.73,-3.03,;27.06,-2.25,;21.74,-5.34,;21.74,-6.87,;20.41,-7.64,;19.07,-6.88,;19.07,-5.35,;20.4,-4.57,;20.4,-3.03,;20.41,-9.18,;19.63,-10.51,;18.87,-9.17,;21.75,-9.95,;23.08,-9.18,;24.41,-9.94,;25.74,-9.18,;25.74,-7.64,;27.07,-6.87,;24.41,-6.86,;23.08,-7.64,)|
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 7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma in human U937 cells assessed as reduction in AKT phosphorylation preincubated for 30 mins followed by MIP1alpha stimulation f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00986
BindingDB Entry DOI: 10.7270/Q27M0CRD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50574845
PNG
(CHEMBL4866794)
Show SMILES Cc1ncc(s1)-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:27.30,wD:24.26,(31.47,-5.01,;30,-5.48,;29.52,-6.95,;27.98,-6.95,;27.51,-5.48,;28.75,-4.58,;25.73,-4.57,;24.4,-5.34,;23.07,-4.56,;23.06,-3.03,;24.39,-2.26,;25.73,-3.03,;27.06,-2.25,;21.74,-5.34,;21.74,-6.87,;20.41,-7.64,;19.07,-6.88,;19.07,-5.35,;20.4,-4.57,;20.4,-3.03,;20.41,-9.18,;19.63,-10.51,;18.87,-9.17,;21.75,-9.95,;23.08,-9.18,;24.41,-9.94,;25.74,-9.18,;25.74,-7.64,;27.07,-6.87,;24.41,-6.86,;23.08,-7.64,)|
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 94n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kalpha (unknown origin) using L-alpha-phosphatidylinositol as substrate incubated for 30 to 60 mins in presence of ATP by Kinase Glo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00986
BindingDB Entry DOI: 10.7270/Q27M0CRD
More data for this
Ligand-Target Pair