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SMILES: CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)[C@@H]3C[C@@H](C3)OC)ncnc12)-c1cnc(C)nc1

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 = 50575904   
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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50575904
PNG
(CHEMBL4870367)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)[C@@H]3C[C@@H](C3)OC)ncnc12)-c1cnc(C)nc1 |r,wU:15.15,17.20,wD:8.7,(21.37,-48.31,;22.88,-47.98,;23.34,-46.51,;22.43,-45.28,;23.32,-44.03,;24.79,-44.5,;26.13,-43.72,;26.12,-42.18,;27.45,-41.4,;28.85,-42.02,;29.87,-40.87,;29.1,-39.54,;27.59,-39.86,;29.72,-38.13,;28.81,-36.89,;31.24,-37.96,;32.44,-38.92,;33.41,-37.72,;32.2,-36.76,;34.94,-37.55,;35.85,-38.79,;27.46,-44.47,;27.47,-46.01,;26.14,-46.79,;24.8,-46.03,;20.89,-45.29,;20.12,-43.96,;18.66,-43.88,;17.82,-45.31,;16.28,-45.32,;18.6,-46.64,;20.14,-46.62,)|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00237
BindingDB Entry DOI: 10.7270/Q28919NT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50575904
PNG
(CHEMBL4870367)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)[C@@H]3C[C@@H](C3)OC)ncnc12)-c1cnc(C)nc1 |r,wU:15.15,17.20,wD:8.7,(21.37,-48.31,;22.88,-47.98,;23.34,-46.51,;22.43,-45.28,;23.32,-44.03,;24.79,-44.5,;26.13,-43.72,;26.12,-42.18,;27.45,-41.4,;28.85,-42.02,;29.87,-40.87,;29.1,-39.54,;27.59,-39.86,;29.72,-38.13,;28.81,-36.89,;31.24,-37.96,;32.44,-38.92,;33.41,-37.72,;32.2,-36.76,;34.94,-37.55,;35.85,-38.79,;27.46,-44.47,;27.47,-46.01,;26.14,-46.79,;24.8,-46.03,;20.89,-45.29,;20.12,-43.96,;18.66,-43.88,;17.82,-45.31,;16.28,-45.32,;18.6,-46.64,;20.14,-46.62,)|
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 75n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as reduction in anti-CD79b antibody-induced CD69 expression preincubated for 60 mins followed b...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00237
BindingDB Entry DOI: 10.7270/Q28919NT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50575904
PNG
(CHEMBL4870367)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)[C@@H]3C[C@@H](C3)OC)ncnc12)-c1cnc(C)nc1 |r,wU:15.15,17.20,wD:8.7,(21.37,-48.31,;22.88,-47.98,;23.34,-46.51,;22.43,-45.28,;23.32,-44.03,;24.79,-44.5,;26.13,-43.72,;26.12,-42.18,;27.45,-41.4,;28.85,-42.02,;29.87,-40.87,;29.1,-39.54,;27.59,-39.86,;29.72,-38.13,;28.81,-36.89,;31.24,-37.96,;32.44,-38.92,;33.41,-37.72,;32.2,-36.76,;34.94,-37.55,;35.85,-38.79,;27.46,-44.47,;27.47,-46.01,;26.14,-46.79,;24.8,-46.03,;20.89,-45.29,;20.12,-43.96,;18.66,-43.88,;17.82,-45.31,;16.28,-45.32,;18.6,-46.64,;20.14,-46.62,)|
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 110n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta in human Ramos cells assessed as reduction in anti-IgM-antibody-induced phosphorylation of AKT at Ser473 residue preincubated...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00237
BindingDB Entry DOI: 10.7270/Q28919NT
More data for this
Ligand-Target Pair