BindingDB logo
myBDB logout

BDBM236938 US9388189, 43

SMILES: C[C@H](Nc1ncnc2[nH]cc(Cc3cccc(O)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1

InChI Key: InChIKey=FGCZLXKOGNAMNO-SFHVURJKSA-N

Data: 5 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 5 hits for monomerid = 236938   
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))
BDBM236938
PNG
(US9388189, 43)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(Cc3cccc(O)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C28H25N7O2/c1-17-11-12-34-24(17)28(37)35(21-8-4-3-5-9-21)27(33-34)18(2)32-26-23-20(15-29-25(23)30-16-31-26)13-19-7-6-10-22(36)14-19/h3-12,14-16,18,36H,13H2,1-2H3,(H2,29,30,31,32)/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
US Patent
n/an/a 3n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM236938
PNG
(US9388189, 43)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(Cc3cccc(O)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C28H25N7O2/c1-17-11-12-34-24(17)28(37)35(21-8-4-3-5-9-21)27(33-34)18(2)32-26-23-20(15-29-25(23)30-16-31-26)13-19-7-6-10-22(36)14-19/h3-12,14-16,18,36H,13H2,1-2H3,(H2,29,30,31,32)/t18-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.90E+3n/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))
BDBM236938
PNG
(US9388189, 43)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(Cc3cccc(O)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C28H25N7O2/c1-17-11-12-34-24(17)28(37)35(21-8-4-3-5-9-21)27(33-34)18(2)32-26-23-20(15-29-25(23)30-16-31-26)13-19-7-6-10-22(36)14-19/h3-12,14-16,18,36H,13H2,1-2H3,(H2,29,30,31,32)/t18-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 210n/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))
BDBM236938
PNG
(US9388189, 43)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(Cc3cccc(O)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C28H25N7O2/c1-17-11-12-34-24(17)28(37)35(21-8-4-3-5-9-21)27(33-34)18(2)32-26-23-20(15-29-25(23)30-16-31-26)13-19-7-6-10-22(36)14-19/h3-12,14-16,18,36H,13H2,1-2H3,(H2,29,30,31,32)/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 64n/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))
BDBM236938
PNG
(US9388189, 43)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(Cc3cccc(O)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C28H25N7O2/c1-17-11-12-34-24(17)28(37)35(21-8-4-3-5-9-21)27(33-34)18(2)32-26-23-20(15-29-25(23)30-16-31-26)13-19-7-6-10-22(36)14-19/h3-12,14-16,18,36H,13H2,1-2H3,(H2,29,30,31,32)/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 1.40n/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