BDBM50123190 CHEMBL3622645::US9388170, 13

SMILES: CN(C)C\C=C\C(=O)Nc1cc2c(Nc3cccc(c3)C#C)ncnc2cc1O[C@H]1CCOC1

InChI Key: InChIKey=XOLQJGVNGIZVGW-ZGBFETHSSA-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 = 50123190   

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 (T790M) (Homo sapiens (Human))	BDBM50123190 (CHEMBL3622645 | US9388170, 13) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3cccc(c3)C#C)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C26H27N5O3/c1-4-18-7-5-8-19(13-18)29-26-21-14-23(30-25(32)9-6-11-31(2)3)24(15-22(21)27-17-28-26)34-20-10-12-33-16-20/h1,5-9,13-15,17,20H,10-12,16H2,2-3H3,(H,30,32)(H,27,28,29)/b9-6+/t20-/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description BT474 Cell Line: 1. 5×103 cells per well in 100 μl of medium were seeded in 96-well plate, here the medium contained 5% FBS2. 24 hours later, 10...				US Patent US9388170 (2016) BindingDB Entry DOI: 10.7270/Q2P849S4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50123190 (CHEMBL3622645 | US9388170, 13) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3cccc(c3)C#C)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C26H27N5O3/c1-4-18-7-5-8-19(13-18)29-26-21-14-23(30-25(32)9-6-11-31(2)3)24(15-22(21)27-17-28-26)34-20-10-12-33-16-20/h1,5-9,13-15,17,20H,10-12,16H2,2-3H3,(H,30,32)(H,27,28,29)/b9-6+/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Qilu Pharmaceutical Co, Ltd Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin) by ELISA method				Eur J Med Chem 102: 445-63 (2015) BindingDB Entry DOI: 10.7270/Q2TM7CZ1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens (Human))	BDBM50123190 (CHEMBL3622645 | US9388170, 13) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3cccc(c3)C#C)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C26H27N5O3/c1-4-18-7-5-8-19(13-18)29-26-21-14-23(30-25(32)9-6-11-31(2)3)24(15-22(21)27-17-28-26)34-20-10-12-33-16-20/h1,5-9,13-15,17,20H,10-12,16H2,2-3H3,(H,30,32)(H,27,28,29)/b9-6+/t20-/m0/s1	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description BT474 Cell Line: 1. 5×103 cells per well in 100 μl of medium were seeded in 96-well plate, here the medium contained 5% FBS2. 24 hours later, 10...				US Patent US9388170 (2016) BindingDB Entry DOI: 10.7270/Q2P849S4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens (Human))	BDBM50123190 (CHEMBL3622645 | US9388170, 13) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3cccc(c3)C#C)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C26H27N5O3/c1-4-18-7-5-8-19(13-18)29-26-21-14-23(30-25(32)9-6-11-31(2)3)24(15-22(21)27-17-28-26)34-20-10-12-33-16-20/h1,5-9,13-15,17,20H,10-12,16H2,2-3H3,(H,30,32)(H,27,28,29)/b9-6+/t20-/m0/s1	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description A431 Cell Line: 1. 5×103 cells per well in 100 μl of medium were seeded in 96-well plate, here the medium contained 5% FBS2. 24 hours later, 100...				US Patent US9388170 (2016) BindingDB Entry DOI: 10.7270/Q2P849S4
					More data for this Ligand-Target Pair