BDBM204458 US9242996, 133

SMILES: Cc1c(cnn1C)-c1cnc(N)c(c1)-c1ccc(C(=O)N[C@H](CO)c2cccc(Cl)c2)c(F)c1

InChI Key: InChIKey=NSYQGBATEXZXQC-HSZRJFAPSA-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 = 204458   

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))	BDBM204458 (US9242996, 133) Show SMILES Cc1c(cnn1C)-c1cnc(N)c(c1)-c1ccc(C(=O)N[C@H](CO)c2cccc(Cl)c2)c(F)c1 Show InChI InChI=1S/C25H23ClFN5O2/c1-14-21(12-30-32(14)2)17-9-20(24(28)29-11-17)15-6-7-19(22(27)10-15)25(34)31-23(13-33)16-4-3-5-18(26)8-16/h3-12,23,33H,13H2,1-2H3,(H2,28,29)(H,31,34)/t23-/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	0.0187	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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