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BDBM50312608 4-[6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]-phenylamine::CHEMBL1083809

SMILES: CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2ccc(N)cc2)CC1

InChI Key: InChIKey=XIQSDGCEEMBYPW-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 = 50312608   
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 gamma isoform


(Homo sapiens (Human))
BDBM50312608
PNG
(4-[6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-mo...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2ccc(N)cc2)CC1
Show InChI InChI=1S/C22H28N6O3S2/c1-33(29,30)28-8-6-26(7-9-28)15-18-14-19-20(32-18)22(27-10-12-31-13-11-27)25-21(24-19)16-2-4-17(23)5-3-16/h2-5,14H,6-13,15,23H2,1H3
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kgamma assessed as PIP3 product formation by fluorescence polarization assay


J Med Chem 53: 1086-97 (2010)


Article DOI: 10.1021/jm901284w
BindingDB Entry DOI: 10.7270/Q2FJ2GXT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50312608
PNG
(4-[6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-mo...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2ccc(N)cc2)CC1
Show InChI InChI=1S/C22H28N6O3S2/c1-33(29,30)28-8-6-26(7-9-28)15-18-14-19-20(32-18)22(27-10-12-31-13-11-27)25-21(24-19)16-2-4-17(23)5-3-16/h2-5,14H,6-13,15,23H2,1H3
PDB
MMDB

NCI pathway
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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 240n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha assessed as PIP3 product formation by fluorescence polarization assay


J Med Chem 53: 1086-97 (2010)


Article DOI: 10.1021/jm901284w
BindingDB Entry DOI: 10.7270/Q2FJ2GXT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50312608
PNG
(4-[6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-mo...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2ccc(N)cc2)CC1
Show InChI InChI=1S/C22H28N6O3S2/c1-33(29,30)28-8-6-26(7-9-28)15-18-14-19-20(32-18)22(27-10-12-31-13-11-27)25-21(24-19)16-2-4-17(23)5-3-16/h2-5,14H,6-13,15,23H2,1H3
PDB
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NCI pathway
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KEGG

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Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kbeta assessed as PIP3 product formation by fluorescence polarization assay


J Med Chem 53: 1086-97 (2010)


Article DOI: 10.1021/jm901284w
BindingDB Entry DOI: 10.7270/Q2FJ2GXT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50312608
PNG
(4-[6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-mo...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2ccc(N)cc2)CC1
Show InChI InChI=1S/C22H28N6O3S2/c1-33(29,30)28-8-6-26(7-9-28)15-18-14-19-20(32-18)22(27-10-12-31-13-11-27)25-21(24-19)16-2-4-17(23)5-3-16/h2-5,14H,6-13,15,23H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kdelta assessed as PIP3 product formation by fluorescence polarization assay


J Med Chem 53: 1086-97 (2010)


Article DOI: 10.1021/jm901284w
BindingDB Entry DOI: 10.7270/Q2FJ2GXT
More data for this
Ligand-Target Pair