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BDBM50384253 CHEMBL2030445

SMILES: CS(=O)(=O)Cc1cc(nc(n1)-c1ccc2nc[nH]c2c1)N1CCOCC1

InChI Key: InChIKey=FQGJJMJBPHPEQO-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50384253   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50384253
PNG
(CHEMBL2030445)
Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1ccc2nc[nH]c2c1)N1CCOCC1
Show InChI InChI=1S/C17H19N5O3S/c1-26(23,24)10-13-9-16(22-4-6-25-7-5-22)21-17(20-13)12-2-3-14-15(8-12)19-11-18-14/h2-3,8-9,11H,4-7,10H2,1H3,(H,18,19)
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PC sid
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Article
PubMed
n/an/a>3.20E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by whole cell assay


Bioorg Med Chem Lett 22: 4163-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50384253
PNG
(CHEMBL2030445)
Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1ccc2nc[nH]c2c1)N1CCOCC1
Show InChI InChI=1S/C17H19N5O3S/c1-26(23,24)10-13-9-16(22-4-6-25-7-5-22)21-17(20-13)12-2-3-14-15(8-12)19-11-18-14/h2-3,8-9,11H,4-7,10H2,1H3,(H,18,19)
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Article
PubMed
n/an/a 285n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLAG-tagged mTOR kinase expressed in HEK293 cells using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-...


Bioorg Med Chem Lett 22: 4163-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50384253
PNG
(CHEMBL2030445)
Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1ccc2nc[nH]c2c1)N1CCOCC1
Show InChI InChI=1S/C17H19N5O3S/c1-26(23,24)10-13-9-16(22-4-6-25-7-5-22)21-17(20-13)12-2-3-14-15(8-12)19-11-18-14/h2-3,8-9,11H,4-7,10H2,1H3,(H,18,19)
PDB
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KEGG

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Article
PubMed
n/an/a 1.06E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kalpha expressed in baculovirus system using PI(4,5)P2 as substrate after 20 mins


Bioorg Med Chem Lett 22: 4163-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD
More data for this
Ligand-Target Pair