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BDBM50208178 CHEMBL3925368

SMILES: Nc1ncnc(NC(CC(F)(F)F)c2nn3cccc3c(=O)n2-c2ccccc2)c1C#N

InChI Key: InChIKey=XDNAVNZQJUPKNP-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50208178   
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


(Homo sapiens (Human))
BDBM50208178
PNG
(CHEMBL3925368)
Show SMILES Nc1ncnc(NC(CC(F)(F)F)c2nn3cccc3c(=O)n2-c2ccccc2)c1C#N
Show InChI InChI=1S/C20H15F3N8O/c21-20(22,23)9-14(28-17-13(10-24)16(25)26-11-27-17)18-29-30-8-4-7-15(30)19(32)31(18)12-5-2-1-3-6-12/h1-8,11,14H,9H2,(H3,25,26,27,28)
PDB
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Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human THP1 cells assessed as reduction in MCSF-stimulated akt phosphorylation at Thr308 preincubated for 30 mins followed ...


ACS Med Chem Lett 8: 118-123 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00438
BindingDB Entry DOI: 10.7270/Q2ZC84WF
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50208178
PNG
(CHEMBL3925368)
Show SMILES Nc1ncnc(NC(CC(F)(F)F)c2nn3cccc3c(=O)n2-c2ccccc2)c1C#N
Show InChI InChI=1S/C20H15F3N8O/c21-20(22,23)9-14(28-17-13(10-24)16(25)26-11-27-17)18-29-30-8-4-7-15(30)19(32)31(18)12-5-2-1-3-6-12/h1-8,11,14H,9H2,(H3,25,26,27,28)
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PC sid
UniChem

Similars

Article
PubMed
n/an/a 610n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal His6-tagged PI3K p110delta/human p85alpha expressed in baculovirus infected sf21 cells using P...


ACS Med Chem Lett 8: 118-123 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00438
BindingDB Entry DOI: 10.7270/Q2ZC84WF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50208178
PNG
(CHEMBL3925368)
Show SMILES Nc1ncnc(NC(CC(F)(F)F)c2nn3cccc3c(=O)n2-c2ccccc2)c1C#N
Show InChI InChI=1S/C20H15F3N8O/c21-20(22,23)9-14(28-17-13(10-24)16(25)26-11-27-17)18-29-30-8-4-7-15(30)19(32)31(18)12-5-2-1-3-6-12/h1-8,11,14H,9H2,(H3,25,26,27,28)
PDB
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PC sid
UniChem

Similars

Article
PubMed
n/an/a 51n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human THP1 cells assessed as reduction in MCSF-stimulated akt phosphorylation at Thr308 preincubated for 30 mins followed ...


ACS Med Chem Lett 8: 118-123 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00438
BindingDB Entry DOI: 10.7270/Q2ZC84WF
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50208178
PNG
(CHEMBL3925368)
Show SMILES Nc1ncnc(NC(CC(F)(F)F)c2nn3cccc3c(=O)n2-c2ccccc2)c1C#N
Show InChI InChI=1S/C20H15F3N8O/c21-20(22,23)9-14(28-17-13(10-24)16(25)26-11-27-17)18-29-30-8-4-7-15(30)19(32)31(18)12-5-2-1-3-6-12/h1-8,11,14H,9H2,(H3,25,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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UniProtKB/TrEMBL

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antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal His6-tagged PI3K p110delta/human p85alpha expressed in baculovirus infected sf21 cells using P...


ACS Med Chem Lett 8: 118-123 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00438
BindingDB Entry DOI: 10.7270/Q2ZC84WF
More data for this
Ligand-Target Pair