BDBM50544089 CHEMBL4649261

SMILES: COc1cc(ccc1Nc1nccc(n1)-c1cn(CCCO)c2ccccc12)N(C)CCN(C)C

InChI Key: InChIKey=NXVBLFLXCQUOFT-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 = 50544089   

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))	BDBM50544089 (CHEMBL4649261) Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1cn(CCCO)c2ccccc12)N(C)CCN(C)C Show InChI InChI=1S/C27H34N6O2/c1-31(2)15-16-32(3)20-10-11-24(26(18-20)35-4)30-27-28-13-12-23(29-27)22-19-33(14-7-17-34)25-9-6-5-8-21(22)25/h5-6,8-13,18-19,34H,7,14-17H2,1-4H3,(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science & Technology Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) by ELISA				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50544089 (CHEMBL4649261) Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1cn(CCCO)c2ccccc12)N(C)CCN(C)C Show InChI InChI=1S/C27H34N6O2/c1-31(2)15-16-32(3)20-10-11-24(26(18-20)35-4)30-27-28-13-12-23(29-27)22-19-33(14-7-17-34)25-9-6-5-8-21(22)25/h5-6,8-13,18-19,34H,7,14-17H2,1-4H3,(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science & Technology Curated by ChEMBL					Assay Description Inhibition of EGFR 19D/T790M/C797S mutant (unknown origin) by ELISA				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50544089 (CHEMBL4649261) Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1cn(CCCO)c2ccccc12)N(C)CCN(C)C Show InChI InChI=1S/C27H34N6O2/c1-31(2)15-16-32(3)20-10-11-24(26(18-20)35-4)30-27-28-13-12-23(29-27)22-19-33(14-7-17-34)25-9-6-5-8-21(22)25/h5-6,8-13,18-19,34H,7,14-17H2,1-4H3,(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	218	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science & Technology Curated by ChEMBL					Assay Description Inhibition of EGFR L858R/T790M/C797S mutant (unknown origin) by ELISA				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50544089 (CHEMBL4649261) Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1cn(CCCO)c2ccccc12)N(C)CCN(C)C Show InChI InChI=1S/C27H34N6O2/c1-31(2)15-16-32(3)20-10-11-24(26(18-20)35-4)30-27-28-13-12-23(29-27)22-19-33(14-7-17-34)25-9-6-5-8-21(22)25/h5-6,8-13,18-19,34H,7,14-17H2,1-4H3,(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	157	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science & Technology Curated by ChEMBL					Assay Description Inhibition of EGFR L858R/T790M mutant (unknown origin) by ELISA				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair