BDBM204261 US9242996, 335

SMILES: Nc1ncc(nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(c2)C(F)F)c(F)c1)C1CCOCC1

InChI Key: InChIKey=VBWIWPHRVDDGOJ-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 = 204261   

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))	BDBM204261 (US9242996, 335) Show SMILES Nc1ncc(nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(c2)C(F)F)c(F)c1)C1CCOCC1 |r| Show InChI InChI=1S/C25H24F4N4O3/c26-17-8-15(7-16(9-17)23(28)29)21(12-34)33-25(35)18-2-1-14(10-19(18)27)22-24(30)31-11-20(32-22)13-3-5-36-6-4-13/h1-2,7-11,13,21,23,34H,3-6,12H2,(H2,30,31)(H,33,35)/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	0.0208	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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