null

SMILES: NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)NCc1ccccc1O

InChI Key: InChIKey=VXLQZNBQBRMCHD-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 229481   

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 JAK1 (Homo sapiens (Human))	BDBM229481 (US9328099, 41-7) Show SMILES NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)NCc1ccccc1O |(-6.09,3.23,;-4.75,4,;-4.75,5.54,;-3.42,3.23,;-1.95,3.71,;-1.05,2.46,;-1.95,1.22,;-3.42,1.69,;-4.75,.92,;-4.75,-.62,;-3.42,-1.39,;-3.42,-2.93,;-4.75,-3.7,;-6.09,-2.93,;-7.42,-3.7,;-6.09,-1.39,;.49,2.46,;1.26,3.79,;2.8,3.79,;4.34,3.79,;-.28,1.13,;.49,-.21,;2.03,-.21,;2.8,1.13,;2.03,2.46,;2.8,-1.54,;4.34,-1.54,;5.11,-2.87,;4.34,-4.21,;5.11,-5.54,;6.65,-5.54,;7.42,-4.21,;6.65,-2.87,;7.42,-1.54,)| Show InChI InChI=1S/C24H26FN7O2/c25-21-13-18(7-12-28-21)30-23-19(22(27)34)15-32(31-23)24(10-11-26)8-5-17(6-9-24)29-14-16-3-1-2-4-20(16)33/h1-4,7,12-13,15,17,29,33H,5-6,8-10,14H2,(H2,27,34)(H,28,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...				US Patent US9328099 (2016) BindingDB Entry DOI: 10.7270/Q2M61J42
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM229481 (US9328099, 41-7) Show SMILES NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCC(CC1)NCc1ccccc1O |(-6.09,3.23,;-4.75,4,;-4.75,5.54,;-3.42,3.23,;-1.95,3.71,;-1.05,2.46,;-1.95,1.22,;-3.42,1.69,;-4.75,.92,;-4.75,-.62,;-3.42,-1.39,;-3.42,-2.93,;-4.75,-3.7,;-6.09,-2.93,;-7.42,-3.7,;-6.09,-1.39,;.49,2.46,;1.26,3.79,;2.8,3.79,;4.34,3.79,;-.28,1.13,;.49,-.21,;2.03,-.21,;2.8,1.13,;2.03,2.46,;2.8,-1.54,;4.34,-1.54,;5.11,-2.87,;4.34,-4.21,;5.11,-5.54,;6.65,-5.54,;7.42,-4.21,;6.65,-2.87,;7.42,-1.54,)| Show InChI InChI=1S/C24H26FN7O2/c25-21-13-18(7-12-28-21)30-23-19(22(27)34)15-32(31-23)24(10-11-26)8-5-17(6-9-24)29-14-16-3-1-2-4-20(16)33/h1-4,7,12-13,15,17,29,33H,5-6,8-10,14H2,(H2,27,34)(H,28,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	468	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...				US Patent US9328099 (2016) BindingDB Entry DOI: 10.7270/Q2M61J42
					More data for this Ligand-Target Pair