BDBM50127095 CHEMBL3628376

SMILES: Cn1cc(cn1)-c1c[nH]c2ncc(nc12)-c1ccncc1

InChI Key: InChIKey=VHSMSQVFTQMRAA-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 = 50127095   

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))	BDBM50127095 (CHEMBL3628376) Show SMILES Cn1cc(cn1)-c1c[nH]c2ncc(nc12)-c1ccncc1 Show InChI InChI=1S/C15H12N6/c1-21-9-11(6-19-21)12-7-17-15-14(12)20-13(8-18-15)10-2-4-16-5-3-10/h2-9H,1H3,(H,17,18)	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	72	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant ERK2 expressed in Escherichia coli using Omnia peptide S/T17 as substrate measured every 50 seconds for 30 mins				Bioorg Med Chem Lett 25: 4728-32 (2015) BindingDB Entry DOI: 10.7270/Q2TB18QM
					More data for this Ligand-Target Pair