BDBM50166573 CHEMBL3798526

SMILES: CC(NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1)c1ccncc1

InChI Key: InChIKey=BLNCMEUSLQBALM-UHFFFAOYSA-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 = 50166573   

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))	BDBM50166573 (CHEMBL3798526) Show SMILES CC(NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1)c1ccncc1 Show InChI InChI=1S/C21H19N5O/c1-13-11-16(7-10-23-13)20-18-12-17(3-4-19(18)25-26-20)21(27)24-14(2)15-5-8-22-9-6-15/h3-12,14H,1-2H3,(H,24,27)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	226	n/a	n/a	n/a	n/a	n/a	n/a
Green Valley Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged ERK2 expressed in Escherichia coli using ser/thr 3 Peptide as substrate preincubated for 1 hr measured aft...				Bioorg Med Chem Lett 26: 2600-4 (2016) Article DOI: 10.1016/j.bmcl.2016.04.029 BindingDB Entry DOI: 10.7270/Q2H99731
					More data for this Ligand-Target Pair