BDBM204270 US9242996, 344

SMILES: Nc1ncc(nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(I)c2)c(F)c1)[C@H]1CC[C@H](O)CC1

InChI Key: InChIKey=HPCCMDQPICOSIY-FIRDEBMASA-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 = 204270   

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))	BDBM204270 (US9242996, 344) Show SMILES Nc1ncc(nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(I)c2)c(F)c1)[C@H]1CC[C@H](O)CC1 |r,wU:31.34,wD:28.30,14.14,(-6.67,3.85,;-6.67,2.31,;-8,1.54,;-8,,;-6.67,-.77,;-5.33,,;-5.33,1.54,;-4,2.31,;-2.67,1.54,;-1.33,2.31,;-1.33,3.85,;,4.62,;,6.16,;1.33,3.85,;2.67,4.62,;2.67,6.16,;4,6.93,;4,3.85,;5.33,4.62,;6.67,3.85,;8,4.62,;6.67,2.31,;5.33,1.54,;5.33,,;4,2.31,;-2.67,4.62,;-2.67,6.16,;-4,3.85,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-6.67,-6.93,;-5.33,-4.62,;-5.33,-3.08,)| Show InChI InChI=1S/C25H25F2IN4O3/c26-16-7-15(8-17(28)10-16)22(12-33)32-25(35)19-6-3-14(9-20(19)27)23-24(29)30-11-21(31-23)13-1-4-18(34)5-2-13/h3,6-11,13,18,22,33-34H,1-2,4-5,12H2,(H2,29,30)(H,32,35)/t13-,18-,22-/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	0.00977	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
					More data for this Ligand-Target Pair