BDBM238272 US9409887, I-3

SMILES: COc1cc(NC2CN(C2)C(=O)OC(C)(C)C)ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F

InChI Key: InChIKey=UDVRGRBOAMOTGS-UHFFFAOYSA-N

Data: 2 IC50  2 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 4 hits for monomerid = 238272   

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
EGF-R Tyrosine Kinase (Homo sapiens (Human))	BDBM238272 (US9409887, I-3) Show SMILES COc1cc(NC2CN(C2)C(=O)OC(C)(C)C)ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F Show InChI InChI=1S/C29H32F3N7O4/c1-6-24(40)35-17-8-7-9-18(12-17)36-25-21(29(30,31)32)14-33-26(38-25)37-22-11-10-19(13-23(22)42-5)34-20-15-39(16-20)27(41)43-28(2,3)4/h6-14,20,34H,1,15-16H2,2-5H3,(H,35,40)(H2,33,36,37,38)	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	7.5	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS...				US Patent US9409887 (2016) BindingDB Entry DOI: 10.7270/Q2028QDD
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (EGFR)(T790M/L858R) (Homo sapiens (Human))	BDBM238272 (US9409887, I-3) Show SMILES COc1cc(NC2CN(C2)C(=O)OC(C)(C)C)ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F Show InChI InChI=1S/C29H32F3N7O4/c1-6-24(40)35-17-8-7-9-18(12-17)36-25-21(29(30,31)32)14-33-26(38-25)37-22-11-10-19(13-23(22)42-5)34-20-15-39(16-20)27(41)43-28(2,3)4/h6-14,20,34H,1,15-16H2,2-5H3,(H,35,40)(H2,33,36,37,38)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description A431 human epidermoid carcinoma, H1975 human NSCLC and HCC827 human NSCLC adenocarcinoma cells were obtained from the American Type Culture Center (M...				US Patent US9409887 (2016) BindingDB Entry DOI: 10.7270/Q2028QDD
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase (Homo sapiens (Human))	BDBM238272 (US9409887, I-3) Show SMILES COc1cc(NC2CN(C2)C(=O)OC(C)(C)C)ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F Show InChI InChI=1S/C29H32F3N7O4/c1-6-24(40)35-17-8-7-9-18(12-17)36-25-21(29(30,31)32)14-33-26(38-25)37-22-11-10-19(13-23(22)42-5)34-20-15-39(16-20)27(41)43-28(2,3)4/h6-14,20,34H,1,15-16H2,2-5H3,(H,35,40)(H2,33,36,37,38)	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description A431 human epidermoid carcinoma, H1975 human NSCLC and HCC827 human NSCLC adenocarcinoma cells were obtained from the American Type Culture Center (M...				US Patent US9409887 (2016) BindingDB Entry DOI: 10.7270/Q2028QDD
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (EGFR)(T790M/L858R) (Homo sapiens (Human))	BDBM238272 (US9409887, I-3) Show SMILES COc1cc(NC2CN(C2)C(=O)OC(C)(C)C)ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F Show InChI InChI=1S/C29H32F3N7O4/c1-6-24(40)35-17-8-7-9-18(12-17)36-25-21(29(30,31)32)14-33-26(38-25)37-22-11-10-19(13-23(22)42-5)34-20-15-39(16-20)27(41)43-28(2,3)4/h6-14,20,34H,1,15-16H2,2-5H3,(H,35,40)(H2,33,36,37,38)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS...				US Patent US9409887 (2016) BindingDB Entry DOI: 10.7270/Q2028QDD
					More data for this Ligand-Target Pair