BDBM50451280 CHEMBL4208167

SMILES: COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(cc2)[N+]([O-])=O)n1)N1CCN(C)CC1

InChI Key: InChIKey=QZQYYIFCMYVDJU-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50451280   

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))	BDBM50451280 (CHEMBL4208167) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(cc2)[N+]([O-])=O)n1)N1CCN(C)CC1 Show InChI InChI=1S/C22H23ClN6O4/c1-27-9-11-28(12-10-27)16-5-8-19(20(13-16)32-2)25-22-24-14-18(23)21(26-22)33-17-6-3-15(4-7-17)29(30)31/h3-8,13-14H,9-12H2,1-2H3,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of EGFR E746_A750 deletion/T790M mutant in human growth-resistant PC9 cells assessed as reduction in cell viability after 72 hrs by MTT as...				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50451280 (CHEMBL4208167) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(cc2)[N+]([O-])=O)n1)N1CCN(C)CC1 Show InChI InChI=1S/C22H23ClN6O4/c1-27-9-11-28(12-10-27)16-5-8-19(20(13-16)32-2)25-22-24-14-18(23)21(26-22)33-17-6-3-15(4-7-17)29(30)31/h3-8,13-14H,9-12H2,1-2H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50451280 (CHEMBL4208167) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(cc2)[N+]([O-])=O)n1)N1CCN(C)CC1 Show InChI InChI=1S/C22H23ClN6O4/c1-27-9-11-28(12-10-27)16-5-8-19(20(13-16)32-2)25-22-24-14-18(23)21(26-22)33-17-6-3-15(4-7-17)29(30)31/h3-8,13-14H,9-12H2,1-2H3,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of EGFR E746_A750 deletion mutant in human PC9 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50451280 (CHEMBL4208167) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(cc2)[N+]([O-])=O)n1)N1CCN(C)CC1 Show InChI InChI=1S/C22H23ClN6O4/c1-27-9-11-28(12-10-27)16-5-8-19(20(13-16)32-2)25-22-24-14-18(23)21(26-22)33-17-6-3-15(4-7-17)29(30)31/h3-8,13-14H,9-12H2,1-2H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50451280 (CHEMBL4208167) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(cc2)[N+]([O-])=O)n1)N1CCN(C)CC1 Show InChI InChI=1S/C22H23ClN6O4/c1-27-9-11-28(12-10-27)16-5-8-19(20(13-16)32-2)25-22-24-14-18(23)21(26-22)33-17-6-3-15(4-7-17)29(30)31/h3-8,13-14H,9-12H2,1-2H3,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of EGFR in human NCI-H460 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair