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BDBM50438631 CHEMBL2414296

SMILES: CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(C(=O)N3CCC(CC3)C(C)(C)O)n(C)c2n1

InChI Key: InChIKey=KVHVEZBOOQCIIR-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 2 hits for monomerid = 50438631   
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))
BDBM50438631
PNG
(CHEMBL2414296)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(C(=O)N3CCC(CC3)C(C)(C)O)n(C)c2n1
Show InChI InChI=1S/C28H36N8O3/c1-5-21-29-19-8-6-7-9-20(19)36(21)27-31-23-22(24(32-27)34-14-16-39-17-15-34)30-25(33(23)4)26(37)35-12-10-18(11-13-35)28(2,3)38/h6-9,18,38H,5,10-17H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.10n/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))
BDBM50438631
PNG
(CHEMBL2414296)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(C(=O)N3CCC(CC3)C(C)(C)O)n(C)c2n1
Show InChI InChI=1S/C28H36N8O3/c1-5-21-29-19-8-6-7-9-20(19)36(21)27-31-23-22(24(32-27)34-14-16-39-17-15-34)30-25(33(23)4)26(37)35-12-10-18(11-13-35)28(2,3)38/h6-9,18,38H,5,10-17H2,1-4H3
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 53n/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