BDBM373708 US10246444, Example 85

SMILES: OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@@H]1CCSS1

InChI Key: InChIKey=KVMBBUXCOHWOBJ-GOTSBHOMSA-N

Data: 3 IC50  5 Kd

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 = 373708   

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))	BDBM373708 (US10246444, Example 85) Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@@H]1CCSS1 |r| Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q2NC63HJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R) (Homo sapiens (Human))	BDBM373708 (US10246444, Example 85) Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@@H]1CCSS1 |r| Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23-/m0/s1	PDB GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q2NC63HJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens (Human))	BDBM373708 (US10246444, Example 85) Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@@H]1CCSS1 |r| Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23-/m0/s1	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q2NC63HJ
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM373708 (US10246444, Example 85) Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@@H]1CCSS1 |r| Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q2NC63HJ
					More data for this Ligand-Target Pair
EGFR S752-I759del (Homo sapiens (Human))	BDBM373708 (US10246444, Example 85) Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@@H]1CCSS1 |r| Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23-/m0/s1	PDB GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q2NC63HJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R) (Homo sapiens (Human))	BDBM373708 (US10246444, Example 85) Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@@H]1CCSS1 |r| Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23-/m0/s1	PDB GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q2NC63HJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM373708 (US10246444, Example 85) Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@@H]1CCSS1 |r| Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q2NC63HJ
					More data for this Ligand-Target Pair
EGFR E746-A750del (Homo sapiens (Human))	BDBM373708 (US10246444, Example 85) Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@@H]1CCSS1 |r| Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23-/m0/s1	PDB GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q2NC63HJ
					More data for this Ligand-Target Pair