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BDBM50438634 CHEMBL2414301

SMILES: CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CC3CN(C3)C(=O)C(C)C)n(C)c2n1

InChI Key: InChIKey=NAKXCFBVYFGHFQ-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50438634   
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))
BDBM50438634
PNG
(CHEMBL2414301)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CC3CN(C3)C(=O)C(C)C)n(C)c2n1
Show InChI InChI=1S/C27H34N8O2/c1-5-21-28-19-8-6-7-9-20(19)35(21)27-30-24-23(25(31-27)33-10-12-37-13-11-33)29-22(32(24)4)14-18-15-34(16-18)26(36)17(2)3/h6-9,17-18H,5,10-16H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.360n/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))
BDBM50438634
PNG
(CHEMBL2414301)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CC3CN(C3)C(=O)C(C)C)n(C)c2n1
Show InChI InChI=1S/C27H34N8O2/c1-5-21-28-19-8-6-7-9-20(19)35(21)27-30-24-23(25(31-27)33-10-12-37-13-11-33)29-22(32(24)4)14-18-15-34(16-18)26(36)17(2)3/h6-9,17-18H,5,10-16H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as expression of CD69 in B cell preincubated for 1 hr by flow cytometry


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