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BDBM50396633 CHEMBL2171952

SMILES: CC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCC(CC3)C(C)(C)O)n(C)c2n1

InChI Key: InChIKey=PLYQHZOHGCYECW-UHFFFAOYSA-N

Data: 1 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50396633   
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 delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50396633
PNG
(CHEMBL2171952)
Show SMILES CC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCC(CC3)C(C)(C)O)n(C)c2n1
Show InChI InChI=1S/C29H40N8O2/c1-19(2)25-30-21-8-6-7-9-22(21)37(25)28-32-26-24(27(33-28)36-14-16-39-17-15-36)31-23(34(26)5)18-35-12-10-20(11-13-35)29(3,4)38/h6-9,19-20,38H,10-18H2,1-5H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as formation of PIP3 by competitive fluorescence polarization assay


Bioorg Med Chem Lett 23: 4953-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.052
BindingDB Entry DOI: 10.7270/Q2ZG6TP9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50396633
PNG
(CHEMBL2171952)
Show SMILES CC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCC(CC3)C(C)(C)O)n(C)c2n1
Show InChI InChI=1S/C29H40N8O2/c1-19(2)25-30-21-8-6-7-9-22(21)37(25)28-32-26-24(27(33-28)36-14-16-39-17-15-36)31-23(34(26)5)18-35-12-10-20(11-13-35)29(3,4)38/h6-9,19-20,38H,10-18H2,1-5H3
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kdelta assessed as inhibition of PIP3 production for 30 mins by fluorescence polarization assay


J Med Chem 55: 7686-95 (2012)


Article DOI: 10.1021/jm300717c
BindingDB Entry DOI: 10.7270/Q2DB8302
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50396633
PNG
(CHEMBL2171952)
Show SMILES CC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCC(CC3)C(C)(C)O)n(C)c2n1
Show InChI InChI=1S/C29H40N8O2/c1-19(2)25-30-21-8-6-7-9-22(21)37(25)28-32-26-24(27(33-28)36-14-16-39-17-15-36)31-23(34(26)5)18-35-12-10-20(11-13-35)29(3,4)38/h6-9,19-20,38H,10-18H2,1-5H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kdelta in Ri-1 cells assessed as inhibition AKt phosphorylation incubated for 30 mins by sandwich immunoassay


J Med Chem 55: 7686-95 (2012)


Article DOI: 10.1021/jm300717c
BindingDB Entry DOI: 10.7270/Q2DB8302
More data for this
Ligand-Target Pair