BDBM153211 US8993756, 11-1

SMILES: COC(=O)c1c[nH]c2ncnc(-c3ccc(F)c(NC(=O)C(C)=C)c3)c12

InChI Key: InChIKey=WWKYFKYUXOUHFG-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 153211   

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 JAK2 (Homo sapiens (Human))	BDBM153211 (US8993756, 11-1) Show SMILES COC(=O)c1c[nH]c2ncnc(-c3ccc(F)c(NC(=O)C(C)=C)c3)c12 Show InChI InChI=1S/C18H15FN4O3/c1-9(2)17(24)23-13-6-10(4-5-12(13)19)15-14-11(18(25)26-3)7-20-16(14)22-8-21-15/h4-8H,1H2,2-3H3,(H,23,24)(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.50E+3	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US8993756 (2015) BindingDB Entry DOI: 10.7270/Q2VQ31DJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM153211 (US8993756, 11-1) Show SMILES COC(=O)c1c[nH]c2ncnc(-c3ccc(F)c(NC(=O)C(C)=C)c3)c12 Show InChI InChI=1S/C18H15FN4O3/c1-9(2)17(24)23-13-6-10(4-5-12(13)19)15-14-11(18(25)26-3)7-20-16(14)22-8-21-15/h4-8H,1H2,2-3H3,(H,23,24)(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US8993756 (2015) BindingDB Entry DOI: 10.7270/Q2VQ31DJ
					More data for this Ligand-Target Pair