BDBM180995 US9133187, II-171

SMILES: C[C@@H](CO)Nc1ncc2CCN(Cc2n1)C(=O)N[C@@H]1CNC[C@H]1c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=DQEWOABASKIREX-DOPJRALCSA-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 = 180995   

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))	BDBM180995 (US9133187, II-171) Show SMILES C[C@@H](CO)Nc1ncc2CCN(Cc2n1)C(=O)N[C@@H]1CNC[C@H]1c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C22H27F3N6O2/c1-13(12-32)28-20-27-8-15-6-7-31(11-19(15)29-20)21(33)30-18-10-26-9-17(18)14-2-4-16(5-3-14)22(23,24)25/h2-5,8,13,17-18,26,32H,6-7,9-12H2,1H3,(H,30,33)(H,27,28,29)/t13-,17-,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.3	n/a
ARRAY BIOPHARMA INC.; GENENTECH, INC. US Patent					Assay Description Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...				US Patent US9133187 (2015) BindingDB Entry DOI: 10.7270/Q28W3C2N
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