BDBM204262 US9242996, 336

SMILES: CNC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)C1CCOCC1)c1cc(F)cc(Cl)c1

InChI Key: InChIKey=KHZDXAXCQKKOEJ-OAQYLSRUSA-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 = 204262   

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))	BDBM204262 (US9242996, 336) Show SMILES CNC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)C1CCOCC1)c1cc(F)cc(Cl)c1 |r| Show InChI InChI=1S/C25H26ClF2N5O2/c1-30-12-21(16-8-17(26)11-18(27)9-16)33-25(34)19-3-2-15(10-20(19)28)23-24(29)31-13-22(32-23)14-4-6-35-7-5-14/h2-3,8-11,13-14,21,30H,4-7,12H2,1H3,(H2,29,31)(H,33,34)/t21-/m1/s1	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	0.0143	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 US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
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