BDBM47231 US8993756, 16

SMILES: CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)\C=C\CN(C)C)c3)c12

InChI Key: InChIKey=FFEKIHZPWVHWSQ-RMKNXTFCSA-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 = 47231   

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))	BDBM47231 (US8993756, 16) Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)\C=C\CN(C)C)c3)c12 Show InChI InChI=1S/C21H23N5O3/c1-4-29-21(28)16-12-22-20-18(16)19(23-13-24-20)14-7-5-8-15(11-14)25-17(27)9-6-10-26(2)3/h5-9,11-13H,4,10H2,1-3H3,(H,25,27)(H,22,23,24)/b9-6+	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))	BDBM47231 (US8993756, 16) Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)\C=C\CN(C)C)c3)c12 Show InChI InChI=1S/C21H23N5O3/c1-4-29-21(28)16-12-22-20-18(16)19(23-13-24-20)14-7-5-8-15(11-14)25-17(27)9-6-10-26(2)3/h5-9,11-13H,4,10H2,1-3H3,(H,25,27)(H,22,23,24)/b9-6+	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	0.0200	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