BDBM50532253 CHEMBL4459080

SMILES: COc1cc(ccc1Nc1ncc2c(n1)n(-c1cccc(NC(=O)C=C)c1)c1nccn1c2=O)N1CCN(C)CC1

InChI Key: InChIKey=SFSIKRRZGSHFGJ-UHFFFAOYSA-N

Data: 4 Kd

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 = 50532253   

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))	BDBM50532253 (CHEMBL4459080) Show SMILES COc1cc(ccc1Nc1ncc2c(n1)n(-c1cccc(NC(=O)C=C)c1)c1nccn1c2=O)N1CCN(C)CC1 Show InChI InChI=1S/C29H29N9O3/c1-4-25(39)32-19-6-5-7-21(16-19)38-26-22(27(40)37-11-10-30-29(37)38)18-31-28(34-26)33-23-9-8-20(17-24(23)41-3)36-14-12-35(2)13-15-36/h4-11,16-18H,1,12-15H2,2-3H3,(H,32,39)(H,31,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a
Dalian Medical University Curated by ChEMBL					Assay Description Binding affinity to wild type partial length human EGFR expressed in bacterial system by KINOMEscan assay				J Med Chem 59: 6580-94 (2016) Article DOI: 10.1021/acs.jmedchem.5b00840
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50532253 (CHEMBL4459080) Show SMILES COc1cc(ccc1Nc1ncc2c(n1)n(-c1cccc(NC(=O)C=C)c1)c1nccn1c2=O)N1CCN(C)CC1 Show InChI InChI=1S/C29H29N9O3/c1-4-25(39)32-19-6-5-7-21(16-19)38-26-22(27(40)37-11-10-30-29(37)38)18-31-28(34-26)33-23-9-8-20(17-24(23)41-3)36-14-12-35(2)13-15-36/h4-11,16-18H,1,12-15H2,2-3H3,(H,32,39)(H,31,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a
Dalian Medical University Curated by ChEMBL					Assay Description Binding affinity to partial length human EGFR L858R/T790M double mutant expressed in mammalian system by KINOMEscan assay				J Med Chem 59: 6580-94 (2016) Article DOI: 10.1021/acs.jmedchem.5b00840
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50532253 (CHEMBL4459080) Show SMILES COc1cc(ccc1Nc1ncc2c(n1)n(-c1cccc(NC(=O)C=C)c1)c1nccn1c2=O)N1CCN(C)CC1 Show InChI InChI=1S/C29H29N9O3/c1-4-25(39)32-19-6-5-7-21(16-19)38-26-22(27(40)37-11-10-30-29(37)38)18-31-28(34-26)33-23-9-8-20(17-24(23)41-3)36-14-12-35(2)13-15-36/h4-11,16-18H,1,12-15H2,2-3H3,(H,32,39)(H,31,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a
Dalian Medical University Curated by ChEMBL					Assay Description Binding affinity to wild type partial length human EGFR expressed in bacterial system by KINOMEscan assay				J Med Chem 59: 6580-94 (2016) Article DOI: 10.1021/acs.jmedchem.5b00840
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50532253 (CHEMBL4459080) Show SMILES COc1cc(ccc1Nc1ncc2c(n1)n(-c1cccc(NC(=O)C=C)c1)c1nccn1c2=O)N1CCN(C)CC1 Show InChI InChI=1S/C29H29N9O3/c1-4-25(39)32-19-6-5-7-21(16-19)38-26-22(27(40)37-11-10-30-29(37)38)18-31-28(34-26)33-23-9-8-20(17-24(23)41-3)36-14-12-35(2)13-15-36/h4-11,16-18H,1,12-15H2,2-3H3,(H,32,39)(H,31,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a
Dalian Medical University Curated by ChEMBL					Assay Description Binding affinity to partial length human EGFR L858R/T790M double mutant expressed in mammalian system by KINOMEscan assay				J Med Chem 59: 6580-94 (2016) Article DOI: 10.1021/acs.jmedchem.5b00840
					More data for this Ligand-Target Pair