BDBM153220 US8993756, 20-1

SMILES: CC(=C)C(=O)Nc1cccc(c1)-c1ncnc2[nH]cc(-c3cccc(C)c3)c12

InChI Key: InChIKey=XCHSXEOQITWOFN-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 = 153220   

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))	BDBM153220 (US8993756, 20-1) Show SMILES CC(=C)C(=O)Nc1cccc(c1)-c1ncnc2[nH]cc(-c3cccc(C)c3)c12 Show InChI InChI=1S/C23H20N4O/c1-14(2)23(28)27-18-9-5-8-17(11-18)21-20-19(12-24-22(20)26-13-25-21)16-7-4-6-15(3)10-16/h4-13H,1H2,2-3H3,(H,27,28)(H,24,25,26)	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))	BDBM153220 (US8993756, 20-1) Show SMILES CC(=C)C(=O)Nc1cccc(c1)-c1ncnc2[nH]cc(-c3cccc(C)c3)c12 Show InChI InChI=1S/C23H20N4O/c1-14(2)23(28)27-18-9-5-8-17(11-18)21-20-19(12-24-22(20)26-13-25-21)16-7-4-6-15(3)10-16/h4-13H,1H2,2-3H3,(H,27,28)(H,24,25,26)	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	0.170	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