null

SMILES: OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1

InChI Key: InChIKey=CRSYKTDYLTZPGM-JOCHJYFZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 373724   

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] (Homo sapiens (Human))	BDBM373724 (US10246444, Example 95) Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1 |r| Show InChI InChI=1S/C30H26ClFN4O5S2/c31-24-7-21(4-5-27(24)40-13-17-2-1-3-20(32)6-17)35-29-18(10-33)11-34-25-9-28(41-14-22(38)12-37)26(8-23(25)29)36-30(39)19-15-42-43-16-19/h1-9,11,19,22,37-38H,12-16H2,(H,34,35)(H,36,39)/t22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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))	BDBM373724 (US10246444, Example 95) Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1 |r| Show InChI InChI=1S/C30H26ClFN4O5S2/c31-24-7-21(4-5-27(24)40-13-17-2-1-3-20(32)6-17)35-29-18(10-33)11-34-25-9-28(41-14-22(38)12-37)26(8-23(25)29)36-30(39)19-15-42-43-16-19/h1-9,11,19,22,37-38H,12-16H2,(H,34,35)(H,36,39)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM373724 (US10246444, Example 95) Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1 |r| Show InChI InChI=1S/C30H26ClFN4O5S2/c31-24-7-21(4-5-27(24)40-13-17-2-1-3-20(32)6-17)35-29-18(10-33)11-34-25-9-28(41-14-22(38)12-37)26(8-23(25)29)36-30(39)19-15-42-43-16-19/h1-9,11,19,22,37-38H,12-16H2,(H,34,35)(H,36,39)/t22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM373724 (US10246444, Example 95) Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1 |r| Show InChI InChI=1S/C30H26ClFN4O5S2/c31-24-7-21(4-5-27(24)40-13-17-2-1-3-20(32)6-17)35-29-18(10-33)11-34-25-9-28(41-14-22(38)12-37)26(8-23(25)29)36-30(39)19-15-42-43-16-19/h1-9,11,19,22,37-38H,12-16H2,(H,34,35)(H,36,39)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	256	n/a	n/a	n/a	n/a	n/a	n/a
Sabila Biosciences LLC Curated by ChEMBL					Assay Description Inhibition of probe binding to wild type EGFR (unknown origin) using rabbit reticulate lysate system after 1 hr by luminescence assay				Bioorg Med Chem Lett 29: 1435-1439 (2019) Article DOI: 10.1016/j.bmcl.2019.04.029
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM373724 (US10246444, Example 95) Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1 |r| Show InChI InChI=1S/C30H26ClFN4O5S2/c31-24-7-21(4-5-27(24)40-13-17-2-1-3-20(32)6-17)35-29-18(10-33)11-34-25-9-28(41-14-22(38)12-37)26(8-23(25)29)36-30(39)19-15-42-43-16-19/h1-9,11,19,22,37-38H,12-16H2,(H,34,35)(H,36,39)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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))	BDBM373724 (US10246444, Example 95) Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1 |r| Show InChI InChI=1S/C30H26ClFN4O5S2/c31-24-7-21(4-5-27(24)40-13-17-2-1-3-20(32)6-17)35-29-18(10-33)11-34-25-9-28(41-14-22(38)12-37)26(8-23(25)29)36-30(39)19-15-42-43-16-19/h1-9,11,19,22,37-38H,12-16H2,(H,34,35)(H,36,39)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Sabila Biosciences LLC Curated by ChEMBL					Assay Description Inhibition of probe binding to EGFR L858R mutant (unknown origin) using rabbit reticulate lysate system after 1 hr by luminescence assay				Bioorg Med Chem Lett 29: 1435-1439 (2019) Article DOI: 10.1016/j.bmcl.2019.04.029
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-745,747-749,751-1210] (Homo sapiens (Human))	BDBM373724 (US10246444, Example 95) Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1 |r| Show InChI InChI=1S/C30H26ClFN4O5S2/c31-24-7-21(4-5-27(24)40-13-17-2-1-3-20(32)6-17)35-29-18(10-33)11-34-25-9-28(41-14-22(38)12-37)26(8-23(25)29)36-30(39)19-15-42-43-16-19/h1-9,11,19,22,37-38H,12-16H2,(H,34,35)(H,36,39)/t22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.50E+3	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