BDBM244191 US9546173, cmpd 124::n-(4-chloro-3-fluorobenzyl)-5,5-dimethyl-2-((tetrahydro-2h-pyran-4-yl)amino)-5h-pyrrolo[3,4-d]pyrimidine-6(7h)-carboxamide

SMILES: CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1ccc(Cl)c(F)c1

InChI Key: InChIKey=LSYAWNFHPYDVBL-UHFFFAOYSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 244191   

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))	BDBM244191 (US9546173, cmpd 124 | n-(4-chloro-3-fluorobenzyl)-...) Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1ccc(Cl)c(F)c1 Show InChI InChI=1S/C21H25ClFN5O2/c1-21(2)15-11-24-19(26-14-5-7-30-8-6-14)27-18(15)12-28(21)20(29)25-10-13-3-4-16(22)17(23)9-13/h3-4,9,11,14H,5-8,10,12H2,1-2H3,(H,25,29)(H,24,26,27)	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	6	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