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SMILES: OCC1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)cc14)c3n2

InChI Key: InChIKey=YDZVTFFLKUNUIU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 374728   

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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM374728 (11-fluoro-13-(hydroxymethyl)-6,7,13,14- tetrahydro...) Show SMILES OCC1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)cc14)c3n2 Show InChI InChI=1S/C17H16FN5O3/c18-10-1-2-14-11(7-10)13(9-24)21-15-3-5-23-16(22-15)12(8-20-23)17(25)19-4-6-26-14/h1-3,5,7-8,13,24H,4,6,9H2,(H,19,25)(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.740	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM374728 (11-fluoro-13-(hydroxymethyl)-6,7,13,14- tetrahydro...) Show SMILES OCC1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)cc14)c3n2 Show InChI InChI=1S/C17H16FN5O3/c18-10-1-2-14-11(7-10)13(9-24)21-15-3-5-23-16(22-15)12(8-20-23)17(25)19-4-6-26-14/h1-3,5,7-8,13,24H,4,6,9H2,(H,19,25)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a
Turning Point Therapeutics, Inc. US Patent					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				US Patent US10618912 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM374728 (11-fluoro-13-(hydroxymethyl)-6,7,13,14- tetrahydro...) Show SMILES OCC1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)cc14)c3n2 Show InChI InChI=1S/C17H16FN5O3/c18-10-1-2-14-11(7-10)13(9-24)21-15-3-5-23-16(22-15)12(8-20-23)17(25)19-4-6-26-14/h1-3,5,7-8,13,24H,4,6,9H2,(H,19,25)(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.740	n/a	n/a	n/a	n/a	n/a
Turning Point Therapeutics, Inc. US Patent					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				US Patent US10618912 (2020)
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM374728 (11-fluoro-13-(hydroxymethyl)-6,7,13,14- tetrahydro...) Show SMILES OCC1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)cc14)c3n2 Show InChI InChI=1S/C17H16FN5O3/c18-10-1-2-14-11(7-10)13(9-24)21-15-3-5-23-16(22-15)12(8-20-23)17(25)19-4-6-26-14/h1-3,5,7-8,13,24H,4,6,9H2,(H,19,25)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair