null

SMILES: CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(no2)C(C)(C)C(F)(F)F)c(F)c1

InChI Key: InChIKey=DYLOIFYWXMEMOK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 347339   

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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM347339 (2-(4-(4-Ethoxy-6-oxo-1,6-dihydropyridin-3-yl)-2-fl...) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(no2)C(C)(C)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H21F4N3O4/c1-4-32-16-9-18(30)27-11-14(16)12-5-6-13(15(23)7-12)8-19(31)28-20-10-17(29-33-20)21(2,3)22(24,25)26/h5-7,9-11H,4,8H2,1-3H3,(H,27,30)(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED US Patent					Assay Description Human RET kinase cytoplasmic domain (amino acids 658-1114 of accession number NP_000314.1) was expressed as an N-terminal GST-fusion protein using a ...				US Patent US9789100 (2017) BindingDB Entry DOI: 10.7270/Q2445PMG
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM347339 (2-(4-(4-Ethoxy-6-oxo-1,6-dihydropyridin-3-yl)-2-fl...) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(no2)C(C)(C)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H21F4N3O4/c1-4-32-16-9-18(30)27-11-14(16)12-5-6-13(15(23)7-12)8-19(31)28-20-10-17(29-33-20)21(2,3)22(24,25)26/h5-7,9-11H,4,8H2,1-3H3,(H,27,30)(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED US Patent					Assay Description Human RET kinase cytoplasmic domain (amino acids 658-1114 of accession number NP_000314.1) was expressed as an N-terminal GST-fusion protein using a ...				US Patent US9789100 (2017) BindingDB Entry DOI: 10.7270/Q2445PMG
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM347339 (2-(4-(4-Ethoxy-6-oxo-1,6-dihydropyridin-3-yl)-2-fl...) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(no2)C(C)(C)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H21F4N3O4/c1-4-32-16-9-18(30)27-11-14(16)12-5-6-13(15(23)7-12)8-19(31)28-20-10-17(29-33-20)21(2,3)22(24,25)26/h5-7,9-11H,4,8H2,1-3H3,(H,27,30)(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED US Patent					Assay Description Human RET kinase cytoplasmic domain (amino acids 658-1114 of accession number NP_000314.1) was expressed as an N-terminal GST-fusion protein using a ...				US Patent US9789100 (2017) BindingDB Entry DOI: 10.7270/Q2445PMG
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM347339 (2-(4-(4-Ethoxy-6-oxo-1,6-dihydropyridin-3-yl)-2-fl...) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(no2)C(C)(C)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H21F4N3O4/c1-4-32-16-9-18(30)27-11-14(16)12-5-6-13(15(23)7-12)8-19(31)28-20-10-17(29-33-20)21(2,3)22(24,25)26/h5-7,9-11H,4,8H2,1-3H3,(H,27,30)(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED US Patent					Assay Description Human RET kinase cytoplasmic domain (amino acids 658-1114 of accession number NP_000314.1) was expressed as an N-terminal GST-fusion protein using a ...				US Patent US9789100 (2017) BindingDB Entry DOI: 10.7270/Q2445PMG
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM347339 (2-(4-(4-Ethoxy-6-oxo-1,6-dihydropyridin-3-yl)-2-fl...) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(no2)C(C)(C)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H21F4N3O4/c1-4-32-16-9-18(30)27-11-14(16)12-5-6-13(15(23)7-12)8-19(31)28-20-10-17(29-33-20)21(2,3)22(24,25)26/h5-7,9-11H,4,8H2,1-3H3,(H,27,30)(H,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of RET phosphorylation in human TT cells after 2 hrs by ELISA				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM347339 (2-(4-(4-Ethoxy-6-oxo-1,6-dihydropyridin-3-yl)-2-fl...) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(no2)C(C)(C)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H21F4N3O4/c1-4-32-16-9-18(30)27-11-14(16)12-5-6-13(15(23)7-12)8-19(31)28-20-10-17(29-33-20)21(2,3)22(24,25)26/h5-7,9-11H,4,8H2,1-3H3,(H,27,30)(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED US Patent					Assay Description Human RET kinase cytoplasmic domain (amino acids 658-1114 of accession number NP_000314.1) was expressed as an N-terminal GST-fusion protein using a ...				US Patent US9789100 (2017) BindingDB Entry DOI: 10.7270/Q2445PMG
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM347339 (2-(4-(4-Ethoxy-6-oxo-1,6-dihydropyridin-3-yl)-2-fl...) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(no2)C(C)(C)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H21F4N3O4/c1-4-32-16-9-18(30)27-11-14(16)12-5-6-13(15(23)7-12)8-19(31)28-20-10-17(29-33-20)21(2,3)22(24,25)26/h5-7,9-11H,4,8H2,1-3H3,(H,27,30)(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human KDR using cisbio TK biotin-peptide as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by...				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM347339 (2-(4-(4-Ethoxy-6-oxo-1,6-dihydropyridin-3-yl)-2-fl...) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(no2)C(C)(C)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H21F4N3O4/c1-4-32-16-9-18(30)27-11-14(16)12-5-6-13(15(23)7-12)8-19(31)28-20-10-17(29-33-20)21(2,3)22(24,25)26/h5-7,9-11H,4,8H2,1-3H3,(H,27,30)(H,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human RET using cisbio TK biotin-peptide as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by HT...				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114] (Homo sapiens (Human))	BDBM347339 (2-(4-(4-Ethoxy-6-oxo-1,6-dihydropyridin-3-yl)-2-fl...) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(no2)C(C)(C)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H21F4N3O4/c1-4-32-16-9-18(30)27-11-14(16)12-5-6-13(15(23)7-12)8-19(31)28-20-10-17(29-33-20)21(2,3)22(24,25)26/h5-7,9-11H,4,8H2,1-3H3,(H,27,30)(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED US Patent					Assay Description Human RET kinase cytoplasmic domain (amino acids 658-1114 of accession number NP_000314.1) was expressed as an N-terminal GST-fusion protein using a ...				US Patent US9789100 (2017) BindingDB Entry DOI: 10.7270/Q2445PMG
					More data for this Ligand-Target Pair