BDBM154698 US8999957, Table 2, Compound 35

SMILES: COc1cccc(F)c1CN1CCC[C@H](C1)NC(=O)c1ccc2[nH]nc(-c3ccc4cncn4c3)c2c1

InChI Key:

Data: 1 IC50  1 Kd

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 = 154698   

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))	BDBM154698 (US8999957, Table 2, Compound 35) Show SMILES COc1cccc(F)c1CN1CCC[C@H](C1)NC(=O)c1ccc2[nH]nc(-c3ccc4cncn4c3)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	4.02	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
Extracellular signal-regulated kinase 1 (ERK1) (Mus musculus (Mouse))	BDBM154698 (US8999957, Table 2, Compound 35) Show SMILES COc1cccc(F)c1CN1CCC[C@H](C1)NC(=O)c1ccc2[nH]nc(-c3ccc4cncn4c3)c2c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescen...				US Patent US8999957 (2015) BindingDB Entry DOI: 10.7270/Q2GB22S9
					More data for this Ligand-Target Pair