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

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 2 hits for monomerid = 50387975   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50387975 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/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 (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/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/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