BDBM50529379 CHEMBL4530686

SMILES: Fc1ccc2Nc3ccc(Oc4ccc(cc4)N4CCNCC4)cc3C(=O)N(Cc3ccccc3)c2c1

InChI Key: InChIKey=YJABCMLNSSTCHS-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50529379   

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))	BDBM50529379 (CHEMBL4530686) Show SMILES Fc1ccc2Nc3ccc(Oc4ccc(cc4)N4CCNCC4)cc3C(=O)N(Cc3ccccc3)c2c1 Show InChI InChI=1S/C30H27FN4O2/c31-22-6-12-28-29(18-22)35(20-21-4-2-1-3-5-21)30(36)26-19-25(11-13-27(26)33-28)37-24-9-7-23(8-10-24)34-16-14-32-15-17-34/h1-13,18-19,32-33H,14-17,20H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of EGFR double T790M/L858R mutant (unknown origin) expressed in mouse Ba/F3 cells assessed as reduction in cell growth incubated for 72 hr...				ACS Med Chem Lett 10: 1549-1553 (2019) Article DOI: 10.1021/acsmedchemlett.9b00381
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529379 (CHEMBL4530686) Show SMILES Fc1ccc2Nc3ccc(Oc4ccc(cc4)N4CCNCC4)cc3C(=O)N(Cc3ccccc3)c2c1 Show InChI InChI=1S/C30H27FN4O2/c31-22-6-12-28-29(18-22)35(20-21-4-2-1-3-5-21)30(36)26-19-25(11-13-27(26)33-28)37-24-9-7-23(8-10-24)34-16-14-32-15-17-34/h1-13,18-19,32-33H,14-17,20H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of EGFR triple T790M/L858R/C797S mutant (unknown origin) expressed in mouse Ba/F3 cells assessed as reduction in cell growth incubated for...				ACS Med Chem Lett 10: 1549-1553 (2019) Article DOI: 10.1021/acsmedchemlett.9b00381
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529379 (CHEMBL4530686) Show SMILES Fc1ccc2Nc3ccc(Oc4ccc(cc4)N4CCNCC4)cc3C(=O)N(Cc3ccccc3)c2c1 Show InChI InChI=1S/C30H27FN4O2/c31-22-6-12-28-29(18-22)35(20-21-4-2-1-3-5-21)30(36)26-19-25(11-13-27(26)33-28)37-24-9-7-23(8-10-24)34-16-14-32-15-17-34/h1-13,18-19,32-33H,14-17,20H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged EGFR L858R mutant (696 to 1022 residues) expressed in Sf21 insect cells by HTRF assay				ACS Med Chem Lett 10: 1549-1553 (2019) Article DOI: 10.1021/acsmedchemlett.9b00381
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529379 (CHEMBL4530686) Show SMILES Fc1ccc2Nc3ccc(Oc4ccc(cc4)N4CCNCC4)cc3C(=O)N(Cc3ccccc3)c2c1 Show InChI InChI=1S/C30H27FN4O2/c31-22-6-12-28-29(18-22)35(20-21-4-2-1-3-5-21)30(36)26-19-25(11-13-27(26)33-28)37-24-9-7-23(8-10-24)34-16-14-32-15-17-34/h1-13,18-19,32-33H,14-17,20H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin) expressed in mouse Ba/F3 cells assessed as reduction in cell growth incubated for 72 hrs in presence of 1 ug/ml C...				ACS Med Chem Lett 10: 1549-1553 (2019) Article DOI: 10.1021/acsmedchemlett.9b00381
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529379 (CHEMBL4530686) Show SMILES Fc1ccc2Nc3ccc(Oc4ccc(cc4)N4CCNCC4)cc3C(=O)N(Cc3ccccc3)c2c1 Show InChI InChI=1S/C30H27FN4O2/c31-22-6-12-28-29(18-22)35(20-21-4-2-1-3-5-21)30(36)26-19-25(11-13-27(26)33-28)37-24-9-7-23(8-10-24)34-16-14-32-15-17-34/h1-13,18-19,32-33H,14-17,20H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged EGFR triple T790M/L858R/C797S mutant (696 to 1022 residues) expressed in Sf21 insect cells by HTRF assay				ACS Med Chem Lett 10: 1549-1553 (2019) Article DOI: 10.1021/acsmedchemlett.9b00381
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529379 (CHEMBL4530686) Show SMILES Fc1ccc2Nc3ccc(Oc4ccc(cc4)N4CCNCC4)cc3C(=O)N(Cc3ccccc3)c2c1 Show InChI InChI=1S/C30H27FN4O2/c31-22-6-12-28-29(18-22)35(20-21-4-2-1-3-5-21)30(36)26-19-25(11-13-27(26)33-28)37-24-9-7-23(8-10-24)34-16-14-32-15-17-34/h1-13,18-19,32-33H,14-17,20H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged EGFR double T790M/L858R mutant (696 to 1022 residues) expressed in Sf21 insect cells by HTRF assay				ACS Med Chem Lett 10: 1549-1553 (2019) Article DOI: 10.1021/acsmedchemlett.9b00381
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529379 (CHEMBL4530686) Show SMILES Fc1ccc2Nc3ccc(Oc4ccc(cc4)N4CCNCC4)cc3C(=O)N(Cc3ccccc3)c2c1 Show InChI InChI=1S/C30H27FN4O2/c31-22-6-12-28-29(18-22)35(20-21-4-2-1-3-5-21)30(36)26-19-25(11-13-27(26)33-28)37-24-9-7-23(8-10-24)34-16-14-32-15-17-34/h1-13,18-19,32-33H,14-17,20H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged EGFR (696 to 1022 residues) expressed in Sf21 insect cells by HTRF assay				ACS Med Chem Lett 10: 1549-1553 (2019) Article DOI: 10.1021/acsmedchemlett.9b00381
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529379 (CHEMBL4530686) Show SMILES Fc1ccc2Nc3ccc(Oc4ccc(cc4)N4CCNCC4)cc3C(=O)N(Cc3ccccc3)c2c1 Show InChI InChI=1S/C30H27FN4O2/c31-22-6-12-28-29(18-22)35(20-21-4-2-1-3-5-21)30(36)26-19-25(11-13-27(26)33-28)37-24-9-7-23(8-10-24)34-16-14-32-15-17-34/h1-13,18-19,32-33H,14-17,20H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse Ba/F3 cells assessed as reduction in cell growth incubated for 72 hrs in presence...				ACS Med Chem Lett 10: 1549-1553 (2019) Article DOI: 10.1021/acsmedchemlett.9b00381
					More data for this Ligand-Target Pair