null

SMILES: NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)C1(CC#N)CCC(CC1)N1CC(F)C1

InChI Key: InChIKey=XGPGNLBIUUNYJN-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 229391   

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))	BDBM229391 (US9328099, 39-2) Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)C1(CC#N)CCC(CC1)N1CC(F)C1 |(4.72,5.14,;3.23,4.74,;2.14,5.83,;2.83,3.25,;1.37,2.78,;1.37,1.24,;2.83,.76,;3.74,2.01,;5.22,1.61,;5.62,.12,;7.11,-.28,;7.51,-1.77,;6.42,-2.85,;4.93,-2.46,;4.53,-.97,;6.82,-4.34,;5.73,-5.43,;8.31,-4.74,;7.22,-5.83,;.03,.47,;1.37,-.3,;1.37,-1.84,;1.37,-3.38,;-.74,-.87,;-2.28,-.87,;-3.05,.47,;-2.28,1.8,;-.74,1.8,;-4.59,.47,;-5.68,1.56,;-6.77,.47,;-8.31,.47,;-5.68,-.62,)| Show InChI InChI=1S/C22H24F4N6O/c23-15-11-31(12-15)17-5-7-21(8-6-17,9-10-27)32-13-18(19(28)33)20(30-32)29-16-3-1-14(2-4-16)22(24,25)26/h1-4,13,15,17H,5-9,11-12H2,(H2,28,33)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	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))	BDBM229391 (US9328099, 39-2) Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)C1(CC#N)CCC(CC1)N1CC(F)C1 |(4.72,5.14,;3.23,4.74,;2.14,5.83,;2.83,3.25,;1.37,2.78,;1.37,1.24,;2.83,.76,;3.74,2.01,;5.22,1.61,;5.62,.12,;7.11,-.28,;7.51,-1.77,;6.42,-2.85,;4.93,-2.46,;4.53,-.97,;6.82,-4.34,;5.73,-5.43,;8.31,-4.74,;7.22,-5.83,;.03,.47,;1.37,-.3,;1.37,-1.84,;1.37,-3.38,;-.74,-.87,;-2.28,-.87,;-3.05,.47,;-2.28,1.8,;-.74,1.8,;-4.59,.47,;-5.68,1.56,;-6.77,.47,;-8.31,.47,;-5.68,-.62,)| Show InChI InChI=1S/C22H24F4N6O/c23-15-11-31(12-15)17-5-7-21(8-6-17,9-10-27)32-13-18(19(28)33)20(30-32)29-16-3-1-14(2-4-16)22(24,25)26/h1-4,13,15,17H,5-9,11-12H2,(H2,28,33)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	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