BDBM366778 US9873709, Example 2-72::ethyl 4-[2-[4- [(4aS,7aR)- 3,4a,5,6,7,7a- hexahydro-2H- pyrrolo[3,4- b][1,4]oxazine-4- carbonyl]anilino]- [1,2,4]triazolo[1,5- a]pyridin-8-yl]-3,6- dihydro-2H-pyridine- 1-carboxylate

SMILES: CCOC(=O)N1CCC(=CC1)c1cccn2nc(Cc3ccc(cc3)C(=O)N3CCO[C@@H]4CNC[C@H]34)nc12

InChI Key: InChIKey=ARYSBXMOATTZIJ-BJKOFHAPSA-N

Data: 1 KI

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 366778   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM366778 (US9873709, Example 2-72 | ethyl 4-[2-[4- [(4aS,7aR...) Show SMILES CCOC(=O)N1CCC(=CC1)c1cccn2nc(Cc3ccc(cc3)C(=O)N3CCO[C@@H]4CNC[C@H]34)nc12 Show InChI InChI=1S/C28H32N6O4/c1-2-37-28(36)32-12-9-20(10-13-32)22-4-3-11-34-26(22)30-25(31-34)16-19-5-7-21(8-6-19)27(35)33-14-15-38-24-18-29-17-23(24)33/h3-9,11,23-24,29H,2,10,12-18H2,1H3/t23-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	5.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc US Patent					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				US Patent US9873709 (2018) BindingDB Entry DOI: 10.7270/Q2CC130F
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