BDBM244199 5,5-dimethyl-2-((tetrahydro-2h-pyran-4-yl)amino)-n-(4-((trifluoromethyl)thio)benzyl)-5h-pyrrolo[3,4-d]pyrimidine-6(7h)-carboxamide::US9546173, cmpd 132

SMILES: CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1ccc(SC(F)(F)F)cc1

InChI Key: InChIKey=RCLGVGYVANQBNN-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 = 244199   

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 (Homo sapiens (Human))	BDBM244199 (5,5-dimethyl-2-((tetrahydro-2h-pyran-4-yl)amino)-n...) Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1ccc(SC(F)(F)F)cc1 Show InChI InChI=1S/C22H26F3N5O2S/c1-21(2)17-12-26-19(28-15-7-9-32-10-8-15)29-18(17)13-30(21)20(31)27-11-14-3-5-16(6-4-14)33-22(23,24)25/h3-6,12,15H,7-11,13H2,1-2H3,(H,27,31)(H,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9546173 (2017) BindingDB Entry DOI: 10.7270/Q2GT5Q52
					More data for this Ligand-Target Pair