BDBM50166290 CHEMBL3798926

SMILES: O=C(NCCCc1ccccc1)c1ccc2[nH]nc(-c3ccncc3)c2c1

InChI Key: InChIKey=SBBYUKLIZAGFLI-UHFFFAOYSA-N

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 = 50166290   

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))	BDBM50166290 (CHEMBL3798926) Show SMILES O=C(NCCCc1ccccc1)c1ccc2[nH]nc(-c3ccncc3)c2c1 Show InChI InChI=1S/C22H20N4O/c27-22(24-12-4-7-16-5-2-1-3-6-16)18-8-9-20-19(15-18)21(26-25-20)17-10-13-23-14-11-17/h1-3,5-6,8-11,13-15H,4,7,12H2,(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 Similars	Article PubMed	n/a	n/a	34	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
Mitogen-activated protein kinase 3 (Homo sapiens (Human))	BDBM50166290 (CHEMBL3798926) Show SMILES O=C(NCCCc1ccccc1)c1ccc2[nH]nc(-c3ccncc3)c2c1 Show InChI InChI=1S/C22H20N4O/c27-22(24-12-4-7-16-5-2-1-3-6-16)18-8-9-20-19(15-18)21(26-25-20)17-10-13-23-14-11-17/h1-3,5-6,8-11,13-15H,4,7,12H2,(H,24,27)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	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 ERK1 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