null

SMILES: CC(C)(O)c1ccc(Nc2nn(cc2C(N)=O)C2(CC#N)CCN(CC2)C(=O)OCC(F)(F)F)cn1

InChI Key: InChIKey=HBQWOCBODGSDEL-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 229007   

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))	BDBM229007 (US9328099, 10-1) Show SMILES CC(C)(O)c1ccc(Nc2nn(cc2C(N)=O)C2(CC#N)CCN(CC2)C(=O)OCC(F)(F)F)cn1 Show InChI InChI=1S/C22H26F3N7O4/c1-20(2,35)16-4-3-14(11-28-16)29-18-15(17(27)33)12-32(30-18)21(5-8-26)6-9-31(10-7-21)19(34)36-13-22(23,24)25/h3-4,11-12,35H,5-7,9-10,13H2,1-2H3,(H2,27,33)(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))	BDBM229007 (US9328099, 10-1) Show SMILES CC(C)(O)c1ccc(Nc2nn(cc2C(N)=O)C2(CC#N)CCN(CC2)C(=O)OCC(F)(F)F)cn1 Show InChI InChI=1S/C22H26F3N7O4/c1-20(2,35)16-4-3-14(11-28-16)29-18-15(17(27)33)12-32(30-18)21(5-8-26)6-9-31(10-7-21)19(34)36-13-22(23,24)25/h3-4,11-12,35H,5-7,9-10,13H2,1-2H3,(H2,27,33)(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	0.700	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