BDBM50177902 CHEMBL3814484

SMILES: CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(C)=O)c1

InChI Key: InChIKey=YJEGLWNTKMTBGD-UHFFFAOYSA-N

Data: 3 EC50

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 = 50177902   

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))	BDBM50177902 (CHEMBL3814484) Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(C)=O)c1 Show InChI InChI=1S/C28H29N9O/c1-18(38)32-20-6-5-7-22(14-20)37-25-9-4-3-8-23(25)34-28(37)26-27(29)30-16-24(33-26)19-15-31-36(17-19)21-10-12-35(2)13-11-21/h3-9,14-17,21H,10-13H2,1-2H3,(H2,29,30)(H,32,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of wild-type EGFR autophosphorylation in human LoVo cells incubated for 2 hrs followed by EGF-stiumlation for 10 mins by ELISA				ACS Med Chem Lett 7: 514-9 (2016) BindingDB Entry DOI: 10.7270/Q2474CSN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50177902 (CHEMBL3814484) Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(C)=O)c1 Show InChI InChI=1S/C28H29N9O/c1-18(38)32-20-6-5-7-22(14-20)37-25-9-4-3-8-23(25)34-28(37)26-27(29)30-16-24(33-26)19-15-31-36(17-19)21-10-12-35(2)13-11-21/h3-9,14-17,21H,10-13H2,1-2H3,(H2,29,30)(H,32,38)	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	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant autophosphorylation in human NCI-H1975 cells incubated for 2 hrs by ELISA				ACS Med Chem Lett 7: 514-9 (2016) BindingDB Entry DOI: 10.7270/Q2474CSN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50177902 (CHEMBL3814484) Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(C)=O)c1 Show InChI InChI=1S/C28H29N9O/c1-18(38)32-20-6-5-7-22(14-20)37-25-9-4-3-8-23(25)34-28(37)26-27(29)30-16-24(33-26)19-15-31-36(17-19)21-10-12-35(2)13-11-21/h3-9,14-17,21H,10-13H2,1-2H3,(H2,29,30)(H,32,38)	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	n/a	n/a	8.01E+3	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA				ACS Med Chem Lett 7: 514-9 (2016) BindingDB Entry DOI: 10.7270/Q2474CSN
					More data for this Ligand-Target Pair