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BDBM50387975 CHEMBL2057831

SMILES: Oc1ccc(cc1)C1=NN2C(S1)=NC(=O)\C(=C\c1coc3ccccc3c1=O)C2=N

InChI Key: InChIKey=HWTQKLXRBKTRPV-TWGBNTOESA-N

Data: 2 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 2 hits for monomerid = 50387975   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50387975
PNG
(CHEMBL2057831)
Show SMILES Oc1ccc(cc1)C1=NN2C(S1)=NC(=O)\C(=C\c1coc3ccccc3c1=O)C2=N
Show InChI InChI=1S/C21H12N4O4S/c22-18-15(9-12-10-29-16-4-2-1-3-14(16)17(12)27)19(28)23-21-25(18)24-20(30-21)11-5-7-13(26)8-6-11/h1-10,22,26H/b15-9+,22-18?
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.02E+4n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha using [gamma32P]ATP by radiometric kinase assay


Bioorg Med Chem Lett 22: 4946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.041
BindingDB Entry DOI: 10.7270/Q25Q4X5B
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50387975
PNG
(CHEMBL2057831)
Show SMILES Oc1ccc(cc1)C1=NN2C(S1)=NC(=O)\C(=C\c1coc3ccccc3c1=O)C2=N
Show InChI InChI=1S/C21H12N4O4S/c22-18-15(9-12-10-29-16-4-2-1-3-14(16)17(12)27)19(28)23-21-25(18)24-20(30-21)11-5-7-13(26)8-6-11/h1-10,22,26H/b15-9+,22-18?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.50E+3n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of MEK1 using [gamma32P]ATP by radiometric kinase assay


Bioorg Med Chem Lett 22: 4946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.041
BindingDB Entry DOI: 10.7270/Q25Q4X5B
More data for this
Ligand-Target Pair