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BDBM50402265 CHEMBL2164280::US8802861, 1

SMILES: CC(=O)Nc1nc(C)c(s1)-c1csc(Nc2cccc(c2)C(O)=O)n1

InChI Key: InChIKey=AYSRHUJFCKXTHN-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50402265   
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))
BDBM50402265
PNG
(CHEMBL2164280 | US8802861, 1)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1csc(Nc2cccc(c2)C(O)=O)n1
Show InChI InChI=1S/C16H14N4O3S2/c1-8-13(25-16(17-8)18-9(2)21)12-7-24-15(20-12)19-11-5-3-4-10(6-11)14(22)23/h3-7H,1-2H3,(H,19,20)(H,22,23)(H,17,18,21)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 22: 7534-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.028
BindingDB Entry DOI: 10.7270/Q27W6DBG
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50402265
PNG
(CHEMBL2164280 | US8802861, 1)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1csc(Nc2cccc(c2)C(O)=O)n1
Show InChI InChI=1S/C16H14N4O3S2/c1-8-13(25-16(17-8)18-9(2)21)12-7-24-15(20-12)19-11-5-3-4-10(6-11)14(22)23/h3-7H,1-2H3,(H,19,20)(H,22,23)(H,17,18,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 10n/an/an/an/an/an/a



Merck Serono

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay.The assa...


US Patent US8802861 (2014)


BindingDB Entry DOI: 10.7270/Q2HD7TCX
More data for this
Ligand-Target Pair