null

SMILES: C[C@@H](OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1)C1CC1

InChI Key: InChIKey=RKEXAGNBPAEFEV-CQSZACIVSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 229249   

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))	BDBM229249 (US9328099, 30-78) Show SMILES C[C@@H](OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1)C1CC1 |r| Show InChI InChI=1S/C22H26FN7O3/c1-14(15-2-3-15)33-21(32)29-10-6-22(5-8-24,7-11-29)30-13-17(19(25)31)20(28-30)27-16-4-9-26-18(23)12-16/h4,9,12-15H,2-3,5-7,10-11H2,1H3,(H2,25,31)(H,26,27,28)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	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))	BDBM229249 (US9328099, 30-78) Show SMILES C[C@@H](OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1)C1CC1 |r| Show InChI InChI=1S/C22H26FN7O3/c1-14(15-2-3-15)33-21(32)29-10-6-22(5-8-24,7-11-29)30-13-17(19(25)31)20(28-30)27-16-4-9-26-18(23)12-16/h4,9,12-15H,2-3,5-7,10-11H2,1H3,(H2,25,31)(H,26,27,28)/t14-/m1/s1	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