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BDBM50450688 CHEMBL4168086

SMILES: C[C@H](Nc1ncnc2[nH]cc(-c3cccc4[nH]ccc34)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1

InChI Key: InChIKey=DQFBCPJYUUEXAD-SFHVURJKSA-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 = 50450688   
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 alpha isoform


(Homo sapiens (Human))
BDBM50450688
PNG
(CHEMBL4168086)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cccc4[nH]ccc34)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C29H24N8O/c1-17-12-14-36-25(17)29(38)37(19-7-4-3-5-8-19)28(35-36)18(2)34-27-24-22(15-31-26(24)32-16-33-27)20-9-6-10-23-21(20)11-13-30-23/h3-16,18,30H,1-2H3,(H2,31,32,33,34)/t18-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 410n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length p110alpha/recombinant human full length p85alpha using PIP2 as substrate preincuba...


J Med Chem 61: 9551-9567 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00873
BindingDB Entry DOI: 10.7270/Q2GB26MQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50450688
PNG
(CHEMBL4168086)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cccc4[nH]ccc34)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C29H24N8O/c1-17-12-14-36-25(17)29(38)37(19-7-4-3-5-8-19)28(35-36)18(2)34-27-24-22(15-31-26(24)32-16-33-27)20-9-6-10-23-21(20)11-13-30-23/h3-16,18,30H,1-2H3,(H2,31,32,33,34)/t18-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length p110beta/recombinant human full length p85alpha using PIP2 as substrate preincubat...


J Med Chem 61: 9551-9567 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00873
BindingDB Entry DOI: 10.7270/Q2GB26MQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50450688
PNG
(CHEMBL4168086)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cccc4[nH]ccc34)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C29H24N8O/c1-17-12-14-36-25(17)29(38)37(19-7-4-3-5-8-19)28(35-36)18(2)34-27-24-22(15-31-26(24)32-16-33-27)20-9-6-10-23-21(20)11-13-30-23/h3-16,18,30H,1-2H3,(H2,31,32,33,34)/t18-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length p110gamma using PIP2 as substrate preincubated for 30 mins followed by substrate a...


J Med Chem 61: 9551-9567 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00873
BindingDB Entry DOI: 10.7270/Q2GB26MQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50450688
PNG
(CHEMBL4168086)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cccc4[nH]ccc34)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C29H24N8O/c1-17-12-14-36-25(17)29(38)37(19-7-4-3-5-8-19)28(35-36)18(2)34-27-24-22(15-31-26(24)32-16-33-27)20-9-6-10-23-21(20)11-13-30-23/h3-16,18,30H,1-2H3,(H2,31,32,33,34)/t18-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat...


J Med Chem 61: 9551-9567 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00873
BindingDB Entry DOI: 10.7270/Q2GB26MQ
More data for this
Ligand-Target Pair