BDBM193381 US9670208, Example 49

SMILES: COc1ccc(Cc2nnc3cc(ccn23)-c2ccnc(Nc3ccnn3C)n2)cc1

InChI Key: InChIKey=ZOAIXMMGAWFUJB-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 193381   

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
Mitogen-activated protein kinase 1 (aa 8-360) (Homo sapiens (Human))	BDBM193381 (US9670208, Example 49) Show SMILES COc1ccc(Cc2nnc3cc(ccn23)-c2ccnc(Nc3ccnn3C)n2)cc1 Show InChI InChI=1S/C22H20N8O/c1-29-19(8-11-24-29)26-22-23-10-7-18(25-22)16-9-12-30-20(27-28-21(30)14-16)13-15-3-5-17(31-2)6-4-15/h3-12,14H,13H2,1-2H3,(H,23,25,26)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.3	n/a
Array BioPharma Inc.; Genentech, Inc. US Patent					Assay Description Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...				US Patent US9670208 (2017) BindingDB Entry DOI: 10.7270/Q2RJ4GMB
					More data for this Ligand-Target Pair