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SMILES: CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)n1cc2c(n1)c1ccccc1oc2=O

InChI Key: InChIKey=TZOZDSJZCHEPAI-UHFFFAOYSA-N

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 = 50510509   
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 alpha isoform


(Homo sapiens (Human))
BDBM50510509
PNG
(CHEMBL4532073)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)n1cc2c(n1)c1ccccc1oc2=O
Show InChI InChI=1S/C25H28N2O4S/c1-14(2)17-11-19(15(3)4)24(20(12-17)16(5)6)32(29,30)27-13-21-23(26-27)18-9-7-8-10-22(18)31-25(21)28/h7-16H,1-6H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



School of Traditional Chinese Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using diC8-PI(4,5)P2 as substrate incubated for 3 hrs by fluorescence polarization assay


Bioorg Med Chem 27: 2261-2267 (2019)


Article DOI: 10.1016/j.bmc.2019.04.021
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50510509
PNG
(CHEMBL4532073)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)n1cc2c(n1)c1ccccc1oc2=O
Show InChI InChI=1S/C25H28N2O4S/c1-14(2)17-11-19(15(3)4)24(20(12-17)16(5)6)32(29,30)27-13-21-23(26-27)18-9-7-8-10-22(18)31-25(21)28/h7-16H,1-6H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 990n/an/an/an/an/an/a



School of Traditional Chinese Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using diC8-PI(4,5)P2 as substrate incubated for 3 hrs by fluorescence polarization assay


Bioorg Med Chem 27: 2261-2267 (2019)


Article DOI: 10.1016/j.bmc.2019.04.021
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50510509
PNG
(CHEMBL4532073)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)n1cc2c(n1)c1ccccc1oc2=O
Show InChI InChI=1S/C25H28N2O4S/c1-14(2)17-11-19(15(3)4)24(20(12-17)16(5)6)32(29,30)27-13-21-23(26-27)18-9-7-8-10-22(18)31-25(21)28/h7-16H,1-6H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 280n/an/an/an/an/an/a



School of Traditional Chinese Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using diC8-PI(4,5)P2 as substrate incubated for 3 hrs by fluorescence polarization assay


Bioorg Med Chem 27: 2261-2267 (2019)


Article DOI: 10.1016/j.bmc.2019.04.021
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50510509
PNG
(CHEMBL4532073)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)n1cc2c(n1)c1ccccc1oc2=O
Show InChI InChI=1S/C25H28N2O4S/c1-14(2)17-11-19(15(3)4)24(20(12-17)16(5)6)32(29,30)27-13-21-23(26-27)18-9-7-8-10-22(18)31-25(21)28/h7-16H,1-6H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 900n/an/an/an/an/an/a



School of Traditional Chinese Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) using diC8-PI(4,5)P2 as substrate incubated for 3 hrs by fluorescence polarization assay


Bioorg Med Chem 27: 2261-2267 (2019)


Article DOI: 10.1016/j.bmc.2019.04.021
More data for this
Ligand-Target Pair