BDBM50177853 CHEMBL3813995

SMILES: CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1Cc1ccc(NC(=O)C=C)cc1

InChI Key: InChIKey=QTRBWHSIUVKLOA-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 = 50177853   

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))	BDBM50177853 (CHEMBL3813995) Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1Cc1ccc(NC(=O)C=C)cc1 Show InChI InChI=1S/C30H31N9O/c1-3-27(40)34-22-10-8-20(9-11-22)18-38-26-7-5-4-6-24(26)36-30(38)28-29(31)32-17-25(35-28)21-16-33-39(19-21)23-12-14-37(2)15-13-23/h3-11,16-17,19,23H,1,12-15,18H2,2H3,(H2,31,32)(H,34,40)	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/Receptor tyrosine-protein kinase erbB-2/Receptor tyrosine-protein kinase erbB-3/Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM50177853 (CHEMBL3813995) Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1Cc1ccc(NC(=O)C=C)cc1 Show InChI InChI=1S/C30H31N9O/c1-3-27(40)34-22-10-8-20(9-11-22)18-38-26-7-5-4-6-24(26)36-30(38)28-29(31)32-17-25(35-28)21-16-33-39(19-21)23-12-14-37(2)15-13-23/h3-11,16-17,19,23H,1,12-15,18H2,2H3,(H2,31,32)(H,34,40)	PDB KEGG UniProtKB/SwissProt 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	1.78E+3	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/Receptor tyrosine-protein kinase erbB-2/Receptor tyrosine-protein kinase erbB-3/Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM50177853 (CHEMBL3813995) Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1Cc1ccc(NC(=O)C=C)cc1 Show InChI InChI=1S/C30H31N9O/c1-3-27(40)34-22-10-8-20(9-11-22)18-38-26-7-5-4-6-24(26)36-30(38)28-29(31)32-17-25(35-28)21-16-33-39(19-21)23-12-14-37(2)15-13-23/h3-11,16-17,19,23H,1,12-15,18H2,2H3,(H2,31,32)(H,34,40)	PDB KEGG UniProtKB/SwissProt 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	5.06E+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