BDBM50127091 CHEMBL3628380

SMILES: OCCCn1cc(cn1)-c1c[nH]c2ncc(nc12)-c1ccncc1

InChI Key: InChIKey=DGOMZHQCSJHCHC-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 = 50127091   

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))	BDBM50127091 (CHEMBL3628380) Show SMILES OCCCn1cc(cn1)-c1c[nH]c2ncc(nc12)-c1ccncc1 Show InChI InChI=1S/C17H16N6O/c24-7-1-6-23-11-13(8-21-23)14-9-19-17-16(14)22-15(10-20-17)12-2-4-18-5-3-12/h2-5,8-11,24H,1,6-7H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	623	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) using 5FAM-IPTSPITTTYFFFKKK as substrate after 1 hr by LC3K assay				Bioorg Med Chem Lett 25: 4728-32 (2015) BindingDB Entry DOI: 10.7270/Q2TB18QM
					More data for this Ligand-Target Pair