BDBM50171908 CHEMBL3805238::US10106508, Compound I-38

SMILES: CCOc1cc2ncnc(Nc3cccc(c3)[N+]([O-])=O)c2c2OCCOc12

InChI Key: InChIKey=WUAZUOXCWOXJJP-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50171908   

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))	BDBM50171908 (CHEMBL3805238 | US10106508, Compound I-38) Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)[N+]([O-])=O)c2c2OCCOc12 Show InChI InChI=1S/C18H16N4O5/c1-2-25-14-9-13-15(17-16(14)26-6-7-27-17)18(20-10-19-13)21-11-4-3-5-12(8-11)22(23)24/h3-5,8-10H,2,6-7H2,1H3,(H,19,20,21)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Technology Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) autophosphorylation preincubated for 30 mins followed by ATP addition measured after 1 ...				Bioorg Med Chem 24: 2871-2881 (2016) BindingDB Entry DOI: 10.7270/Q2NP269P
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (T790M) (Homo sapiens (Human))	BDBM50171908 (CHEMBL3805238 | US10106508, Compound I-38) Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)[N+]([O-])=O)c2c2OCCOc12 Show InChI InChI=1S/C18H16N4O5/c1-2-25-14-9-13-15(17-16(14)26-6-7-27-17)18(20-10-19-13)21-11-4-3-5-12(8-11)22(23)24/h3-5,8-10H,2,6-7H2,1H3,(H,19,20,21)	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED US Patent					Assay Description The sample compounds were dissolved in DMSO and diluted it to 500 μM concentration with DMSO and transferred to a dose plate. The compounds were...				US Patent US10106508 (2018) BindingDB Entry DOI: 10.7270/Q26M38VB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50171908 (CHEMBL3805238 | US10106508, Compound I-38) Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)[N+]([O-])=O)c2c2OCCOc12 Show InChI InChI=1S/C18H16N4O5/c1-2-25-14-9-13-15(17-16(14)26-6-7-27-17)18(20-10-19-13)21-11-4-3-5-12(8-11)22(23)24/h3-5,8-10H,2,6-7H2,1H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED US Patent					Assay Description The sample compounds were dissolved in DMSO and diluted it to 500 μM concentration with DMSO and transferred to a dose plate. The compounds were...				US Patent US10106508 (2018) BindingDB Entry DOI: 10.7270/Q26M38VB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50171908 (CHEMBL3805238 | US10106508, Compound I-38) Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)[N+]([O-])=O)c2c2OCCOc12 Show InChI InChI=1S/C18H16N4O5/c1-2-25-14-9-13-15(17-16(14)26-6-7-27-17)18(20-10-19-13)21-11-4-3-5-12(8-11)22(23)24/h3-5,8-10H,2,6-7H2,1H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Technology Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) autophosphorylation preincubated for 30 mins followed by ATP addition measured after 1 hr by kinase-glo...				Bioorg Med Chem 24: 2871-2881 (2016) BindingDB Entry DOI: 10.7270/Q2NP269P
					More data for this Ligand-Target Pair