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BDBM50312610 6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-2-pyridin-4-yl-thieno[3,2-d]pyrimidine::CHEMBL1077023

SMILES: CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2ccncc2)CC1

InChI Key: InChIKey=MTCQVCCBRHUPNZ-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 = 50312610   
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))
BDBM50312610
PNG
(6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-morph...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2ccncc2)CC1
Show InChI InChI=1S/C21H26N6O3S2/c1-32(28,29)27-8-6-25(7-9-27)15-17-14-18-19(31-17)21(26-10-12-30-13-11-26)24-20(23-18)16-2-4-22-5-3-16/h2-5,14H,6-13,15H2,1H3
PDB
MMDB

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Article
PubMed
n/an/a 5.10E+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))
BDBM50312610
PNG
(6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-morph...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2ccncc2)CC1
Show InChI InChI=1S/C21H26N6O3S2/c1-32(28,29)27-8-6-25(7-9-27)15-17-14-18-19(31-17)21(26-10-12-30-13-11-26)24-20(23-18)16-2-4-22-5-3-16/h2-5,14H,6-13,15H2,1H3
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Article
PubMed
n/an/a 2.90E+3n/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))
BDBM50312610
PNG
(6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-morph...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2ccncc2)CC1
Show InChI InChI=1S/C21H26N6O3S2/c1-32(28,29)27-8-6-25(7-9-27)15-17-14-18-19(31-17)21(26-10-12-30-13-11-26)24-20(23-18)16-2-4-22-5-3-16/h2-5,14H,6-13,15H2,1H3
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Article
PubMed
n/an/a 5.40E+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))
BDBM50312610
PNG
(6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-morph...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2ccncc2)CC1
Show InChI InChI=1S/C21H26N6O3S2/c1-32(28,29)27-8-6-25(7-9-27)15-17-14-18-19(31-17)21(26-10-12-30-13-11-26)24-20(23-18)16-2-4-22-5-3-16/h2-5,14H,6-13,15H2,1H3
PDB
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NCI pathway
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KEGG

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PC sid
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Article
PubMed
n/an/a 310n/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