BDBM202377 US10081606, Compound I-9::US9238629, I-9::US9765038, Compound I-9

SMILES: COc1ccc(Nc2ncc(c(Oc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1

InChI Key: InChIKey=YQRLADVWFUXYQX-UHFFFAOYSA-N

Data: 6 IC50  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 9 hits for monomerid = 202377   

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(L858R, T790M) (Homo sapiens (Human))	BDBM202377 (US10081606, Compound I-9 | US9238629, I-9 | US9765...) Show SMILES COc1ccc(Nc2ncc(c(Oc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1 Show InChI InChI=1S/C22H19F3N4O4/c1-4-19(30)27-13-6-5-7-15(10-13)33-20-16(22(23,24)25)12-26-21(29-20)28-17-9-8-14(31-2)11-18(17)32-3/h4-12H,1H2,2-3H3,(H,27,30)(H,26,28,29)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description To assess phosphor-EGFR signaling, blots were probed with rabbit anti-Phospho-EGFR (Y1068) and mouse total anti-EGFR antibodies. Phospho-EGFR signal ...				US Patent US9238629 (2016) BindingDB Entry DOI: 10.7270/Q2P849Q7
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM202377 (US10081606, Compound I-9 | US9238629, I-9 | US9765...) Show SMILES COc1ccc(Nc2ncc(c(Oc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1 Show InChI InChI=1S/C22H19F3N4O4/c1-4-19(30)27-13-6-5-7-15(10-13)33-20-16(22(23,24)25)12-26-21(29-20)28-17-9-8-14(31-2)11-18(17)32-3/h4-12H,1H2,2-3H3,(H,27,30)(H,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	7.5	25
Celgene Avilomics Research, Inc. US Patent					Assay Description Briefly, 10x stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13x ATP (AS001A) and...				US Patent US9238629 (2016) BindingDB Entry DOI: 10.7270/Q2P849Q7
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens (Human))	BDBM202377 (US10081606, Compound I-9 | US9238629, I-9 | US9765...) Show SMILES COc1ccc(Nc2ncc(c(Oc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1 Show InChI InChI=1S/C22H19F3N4O4/c1-4-19(30)27-13-6-5-7-15(10-13)33-20-16(22(23,24)25)12-26-21(29-20)28-17-9-8-14(31-2)11-18(17)32-3/h4-12H,1H2,2-3H3,(H,27,30)(H,26,28,29)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	7.5	25
Celgene Avilomics Research, Inc. US Patent					Assay Description Briefly, 10x stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13x ATP (AS001A) and...				US Patent US9238629 (2016) BindingDB Entry DOI: 10.7270/Q2P849Q7
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM202377 (US10081606, Compound I-9 | US9238629, I-9 | US9765...) Show SMILES COc1ccc(Nc2ncc(c(Oc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1 Show InChI InChI=1S/C22H19F3N4O4/c1-4-19(30)27-13-6-5-7-15(10-13)33-20-16(22(23,24)25)12-26-21(29-20)28-17-9-8-14(31-2)11-18(17)32-3/h4-12H,1H2,2-3H3,(H,27,30)(H,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	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 To assess phosphor-EGFR signaling, blots were probed with rabbit anti-Phospho-EGFR (Y1068) and mouse total anti-EGFR antibodies. Phospho-EGFR signal ...				US Patent US9238629 (2016) BindingDB Entry DOI: 10.7270/Q2P849Q7
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM202377 (US10081606, Compound I-9 | US9238629, I-9 | US9765...) Show SMILES COc1ccc(Nc2ncc(c(Oc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1 Show InChI InChI=1S/C22H19F3N4O4/c1-4-19(30)27-13-6-5-7-15(10-13)33-20-16(22(23,24)25)12-26-21(29-20)28-17-9-8-14(31-2)11-18(17)32-3/h4-12H,1H2,2-3H3,(H,27,30)(H,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	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 CAR LLC US Patent					Assay Description The mechanics of the assay platform are best described by the vendor (Invitrogen, Carlsbad, Calif.) on their web site at the following URL: www.invit...				US Patent US9765038 (2017) BindingDB Entry DOI: 10.7270/Q26D5W3M
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens (Human))	BDBM202377 (US10081606, Compound I-9 | US9238629, I-9 | US9765...) Show SMILES COc1ccc(Nc2ncc(c(Oc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1 Show InChI InChI=1S/C22H19F3N4O4/c1-4-19(30)27-13-6-5-7-15(10-13)33-20-16(22(23,24)25)12-26-21(29-20)28-17-9-8-14(31-2)11-18(17)32-3/h4-12H,1H2,2-3H3,(H,27,30)(H,26,28,29)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	7.5	n/a
Celgene CAR LLC US Patent					Assay Description The mechanics of the assay platform are best described by the vendor (Invitrogen, Carlsbad, Calif.) on their web site at the following URL: www.invit...				US Patent US10081606 (2018) BindingDB Entry DOI: 10.7270/Q2HH6N3X
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM202377 (US10081606, Compound I-9 | US9238629, I-9 | US9765...) Show SMILES COc1ccc(Nc2ncc(c(Oc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1 Show InChI InChI=1S/C22H19F3N4O4/c1-4-19(30)27-13-6-5-7-15(10-13)33-20-16(22(23,24)25)12-26-21(29-20)28-17-9-8-14(31-2)11-18(17)32-3/h4-12H,1H2,2-3H3,(H,27,30)(H,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description The mechanics of the assay platform are best described by the vendor (Invitrogen, Carlsbad, Calif.) on their web site at the following URL: www.invit...				US Patent US9765038 (2017) BindingDB Entry DOI: 10.7270/Q26D5W3M
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (T790M/L858R) (Homo sapiens (Human))	BDBM202377 (US10081606, Compound I-9 | US9238629, I-9 | US9765...) Show SMILES COc1ccc(Nc2ncc(c(Oc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1 Show InChI InChI=1S/C22H19F3N4O4/c1-4-19(30)27-13-6-5-7-15(10-13)33-20-16(22(23,24)25)12-26-21(29-20)28-17-9-8-14(31-2)11-18(17)32-3/h4-12H,1H2,2-3H3,(H,27,30)(H,26,28,29)	PDB GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent									US Patent US9765038 (2017) BindingDB Entry DOI: 10.7270/Q26D5W3M
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM202377 (US10081606, Compound I-9 | US9238629, I-9 | US9765...) Show SMILES COc1ccc(Nc2ncc(c(Oc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1 Show InChI InChI=1S/C22H19F3N4O4/c1-4-19(30)27-13-6-5-7-15(10-13)33-20-16(22(23,24)25)12-26-21(29-20)28-17-9-8-14(31-2)11-18(17)32-3/h4-12H,1H2,2-3H3,(H,27,30)(H,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	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 CAR LLC US Patent					Assay Description The mechanics of the assay platform are best described by the vendor (Invitrogen, Carlsbad, Calif.) on their web site at the following URL: www.invit...				US Patent US10081606 (2018) BindingDB Entry DOI: 10.7270/Q2HH6N3X
					More data for this Ligand-Target Pair