BDBM50134236 CHEMBL3746473

SMILES: CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=KTIOIWKPYJUSTA-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50134236   

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
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50134236 (CHEMBL3746473) Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(cc1)[N+]([O-])=O |c:4| Show InChI InChI=1S/C24H22N6O7/c1-15-25-14-23(30(35)36)27(15)11-12-37-24(32)19-5-3-18(4-6-19)22-13-21(26-28(22)16(2)31)17-7-9-20(10-8-17)29(33)34/h3-10,14,22H,11-13H2,1-2H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of His-tagged human HER-2 cytoplasmic domain (676-1245 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometr...				Bioorg Med Chem Lett 26: 677-83 (2016) BindingDB Entry DOI: 10.7270/Q2K35WH9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50134236 (CHEMBL3746473) Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(cc1)[N+]([O-])=O |c:4| Show InChI InChI=1S/C24H22N6O7/c1-15-25-14-23(30(35)36)27(15)11-12-37-24(32)19-5-3-18(4-6-19)22-13-21(26-28(22)16(2)31)17-7-9-20(10-8-17)29(33)34/h3-10,14,22H,11-13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	601	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry				Bioorg Med Chem Lett 26: 677-83 (2016) BindingDB Entry DOI: 10.7270/Q2K35WH9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50134236 (CHEMBL3746473) Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(cc1)[N+]([O-])=O |c:4| Show InChI InChI=1S/C24H22N6O7/c1-15-25-14-23(30(35)36)27(15)11-12-37-24(32)19-5-3-18(4-6-19)22-13-21(26-28(22)16(2)31)17-7-9-20(10-8-17)29(33)34/h3-10,14,22H,11-13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry				Bioorg Med Chem Lett 26: 677-83 (2016) BindingDB Entry DOI: 10.7270/Q2K35WH9
					More data for this Ligand-Target Pair