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BDBM50312611 6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-2-pyridin-3-yl-thieno[3,2-d]pyrimidine::CHEMBL1086924

SMILES: CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccnc2)CC1

InChI Key: InChIKey=XHYCVVZBZFPLDA-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 = 50312611   
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))
BDBM50312611
PNG
(6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-morph...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccnc2)CC1
Show InChI InChI=1S/C21H26N6O3S2/c1-32(28,29)27-7-5-25(6-8-27)15-17-13-18-19(31-17)21(26-9-11-30-12-10-26)24-20(23-18)16-3-2-4-22-14-16/h2-4,13-14H,5-12,15H2,1H3
PDB
MMDB

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Article
PubMed
n/an/a 19n/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))
BDBM50312611
PNG
(6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-morph...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccnc2)CC1
Show InChI InChI=1S/C21H26N6O3S2/c1-32(28,29)27-7-5-25(6-8-27)15-17-13-18-19(31-17)21(26-9-11-30-12-10-26)24-20(23-18)16-3-2-4-22-14-16/h2-4,13-14H,5-12,15H2,1H3
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PC sid
UniChem

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Similars

Article
PubMed
n/an/a 21n/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))
BDBM50312611
PNG
(6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-morph...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccnc2)CC1
Show InChI InChI=1S/C21H26N6O3S2/c1-32(28,29)27-7-5-25(6-8-27)15-17-13-18-19(31-17)21(26-9-11-30-12-10-26)24-20(23-18)16-3-2-4-22-14-16/h2-4,13-14H,5-12,15H2,1H3
PDB
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Article
PubMed
n/an/a 14n/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))
BDBM50312611
PNG
(6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-morph...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccnc2)CC1
Show InChI InChI=1S/C21H26N6O3S2/c1-32(28,29)27-7-5-25(6-8-27)15-17-13-18-19(31-17)21(26-9-11-30-12-10-26)24-20(23-18)16-3-2-4-22-14-16/h2-4,13-14H,5-12,15H2,1H3
PDB
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NCI pathway
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 12n/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