BDBM50245299 CHEMBL4065426

SMILES: CNS(=O)(=O)c1cccc(Nc2cc(Nc3cccc(c3)[N+]([O-])=O)ncn2)c1

InChI Key: InChIKey=VGQHMTSLJFXLBO-UHFFFAOYSA-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 = 50245299   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50245299 (CHEMBL4065426) Show SMILES CNS(=O)(=O)c1cccc(Nc2cc(Nc3cccc(c3)[N+]([O-])=O)ncn2)c1 Show InChI InChI=1S/C17H16N6O4S/c1-18-28(26,27)15-7-3-5-13(9-15)22-17-10-16(19-11-20-17)21-12-4-2-6-14(8-12)23(24)25/h2-11,18H,1H3,(H2,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin)				J Med Chem 61: 3076-3088 (2018) Article DOI: 10.1021/acs.jmedchem.8b00125 BindingDB Entry DOI: 10.7270/Q2Z3221C
					More data for this Ligand-Target Pair
TNNI3K (Homo sapiens (Human))	BDBM50245299 (CHEMBL4065426) Show SMILES CNS(=O)(=O)c1cccc(Nc2cc(Nc3cccc(c3)[N+]([O-])=O)ncn2)c1 Show InChI InChI=1S/C17H16N6O4S/c1-18-28(26,27)15-7-3-5-13(9-15)22-17-10-16(19-11-20-17)21-12-4-2-6-14(8-12)23(24)25/h2-11,18H,1H3,(H2,19,20,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human Myc-tagged TNNI3K autophosphorylation expressed in HEKMSR2 cells after 30 mins by DELFIA				J Med Chem 61: 3076-3088 (2018) Article DOI: 10.1021/acs.jmedchem.8b00125 BindingDB Entry DOI: 10.7270/Q2Z3221C
					More data for this Ligand-Target Pair