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SMILES: C1CC(CCO1)Nc1ccc2ncc(-c3ccncc3)n2n1

InChI Key: InChIKey=UUVPHDJCRCLZOZ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 214647   

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
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM214647 (US10688093, Compound BF000817099 | US9284319, R5 |...) Show SMILES C1CC(CCO1)Nc1ccc2ncc(-c3ccncc3)n2n1 Show InChI InChI=1S/C16H17N5O/c1-2-16-18-11-14(12-3-7-17-8-4-12)21(16)20-15(1)19-13-5-9-22-10-6-13/h1-4,7-8,11,13H,5-6,9-10H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	192	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9284319 (2016) BindingDB Entry DOI: 10.7270/Q2765D6D
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM214647 (US10688093, Compound BF000817099 | US9284319, R5 |...) Show SMILES C1CC(CCO1)Nc1ccc2ncc(-c3ccncc3)n2n1 Show InChI InChI=1S/C16H17N5O/c1-2-16-18-11-14(12-3-7-17-8-4-12)21(16)20-15(1)19-13-5-9-22-10-6-13/h1-4,7-8,11,13H,5-6,9-10H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	480	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9284319 (2016) BindingDB Entry DOI: 10.7270/Q2765D6D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Fyn (Homo sapiens (Human))	BDBM214647 (US10688093, Compound BF000817099 | US9284319, R5 |...) Show SMILES C1CC(CCO1)Nc1ccc2ncc(-c3ccncc3)n2n1 Show InChI InChI=1S/C16H17N5O/c1-2-16-18-11-14(12-3-7-17-8-4-12)21(16)20-15(1)19-13-5-9-22-10-6-13/h1-4,7-8,11,13H,5-6,9-10H2,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The assay procedure determines the IC50 of each potential FYN kinase inhibitor by measuring the enzyme catalyzed ATP-dependent phosphorylation of the...				US Patent US10688093 (2020)
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM214647 (US10688093, Compound BF000817099 | US9284319, R5 |...) Show SMILES C1CC(CCO1)Nc1ccc2ncc(-c3ccncc3)n2n1 Show InChI InChI=1S/C16H17N5O/c1-2-16-18-11-14(12-3-7-17-8-4-12)21(16)20-15(1)19-13-5-9-22-10-6-13/h1-4,7-8,11,13H,5-6,9-10H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9783543 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BK4
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM214647 (US10688093, Compound BF000817099 | US9284319, R5 |...) Show SMILES C1CC(CCO1)Nc1ccc2ncc(-c3ccncc3)n2n1 Show InChI InChI=1S/C16H17N5O/c1-2-16-18-11-14(12-3-7-17-8-4-12)21(16)20-15(1)19-13-5-9-22-10-6-13/h1-4,7-8,11,13H,5-6,9-10H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...				US Patent US9730929 (2017) BindingDB Entry DOI: 10.7270/Q28S4S1H
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM214647 (US10688093, Compound BF000817099 | US9284319, R5 |...) Show SMILES C1CC(CCO1)Nc1ccc2ncc(-c3ccncc3)n2n1 Show InChI InChI=1S/C16H17N5O/c1-2-16-18-11-14(12-3-7-17-8-4-12)21(16)20-15(1)19-13-5-9-22-10-6-13/h1-4,7-8,11,13H,5-6,9-10H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	192	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9783543 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BK4
					More data for this Ligand-Target Pair