BDBM154745 US8999957, Table 3, Compound 17::US8999957, Table 3, Compound 77

SMILES: COc1cccc(F)c1CN1C[C@@H](C[C@@H](C1)C(F)(F)F)NC(=O)c1ccc2[nH]nc(-c3ccc4nccn4c3)c2c1

InChI Key:

Data: 2 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 2 hits for monomerid = 154745   

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 (Mus musculus (Mouse))	BDBM154745 (US8999957, Table 3, Compound 17 | US8999957, Table...) Show SMILES COc1cccc(F)c1CN1C[C@@H](C[C@@H](C1)C(F)(F)F)NC(=O)c1ccc2[nH]nc(-c3ccc4nccn4c3)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.46	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Condition 1: Activated ERK2 activity was also determined in the IMAP assay format using the procedure outlined above. 1 μl of 25× compound was a...				US Patent US8999957 (2015) BindingDB Entry DOI: 10.7270/Q2GB22S9
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Mus musculus (Mouse))	BDBM154745 (US8999957, Table 3, Compound 17 | US8999957, Table...) Show SMILES COc1cccc(F)c1CN1C[C@@H](C[C@@H](C1)C(F)(F)F)NC(=O)c1ccc2[nH]nc(-c3ccc4nccn4c3)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18.0	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Condition 1: Activated ERK2 activity was also determined in the IMAP assay format using the procedure outlined above. 1 μl of 25× compound was a...				US Patent US8999957 (2015) BindingDB Entry DOI: 10.7270/Q2GB22S9
					More data for this Ligand-Target Pair