BDBM157161 US9023865, 5

SMILES: Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)NCCc3ccccc3)ncc12

InChI Key: InChIKey=SXHJFLZPXBCHPC-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 157161   

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))	BDBM157161 (US9023865, 5) Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)NCCc3ccccc3)ncc12 Show InChI InChI=1S/C21H20N6O/c1-14-11-16(8-10-22-14)20-17-13-24-19(12-18(17)26-27-20)25-21(28)23-9-7-15-5-3-2-4-6-15/h2-6,8,10-13H,7,9H2,1H3,(H,26,27)(H2,23,24,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.502	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9023865 (2015) BindingDB Entry DOI: 10.7270/Q2PN94CC
					More data for this Ligand-Target Pair
ERK-2 (Rattus norvegicus (rat))	BDBM157161 (US9023865, 5) Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)NCCc3ccccc3)ncc12 Show InChI InChI=1S/C21H20N6O/c1-14-11-16(8-10-22-14)20-17-13-24-19(12-18(17)26-27-20)25-21(28)23-9-7-15-5-3-2-4-6-15/h2-6,8,10-13H,7,9H2,1H3,(H,26,27)(H2,23,24,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Inhibition of mouse ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay				J Med Chem 59: 6501-11 (2016) Article DOI: 10.1021/acs.jmedchem.6b00708
					More data for this Ligand-Target Pair
ERK-2 (Rattus norvegicus (rat))	BDBM157161 (US9023865, 5) Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)NCCc3ccccc3)ncc12 Show InChI InChI=1S/C21H20N6O/c1-14-11-16(8-10-22-14)20-17-13-24-19(12-18(17)26-27-20)25-21(28)23-9-7-15-5-3-2-4-6-15/h2-6,8,10-13H,7,9H2,1H3,(H,26,27)(H2,23,24,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Inhibition of mouse ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay				J Med Chem 59: 6501-11 (2016) Article DOI: 10.1021/acs.jmedchem.6b00708
					More data for this Ligand-Target Pair