BDBM50139003 CHEMBL3753529

SMILES: Cc1ccc(cc1C)-n1nnc2c1ncn(CC(=O)NCc1ccc3OCOc3c1)c2=O

InChI Key: InChIKey=ZUYKNWLWIGKTSN-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 = 50139003   

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))	BDBM50139003 (CHEMBL3753529) Show SMILES Cc1ccc(cc1C)-n1nnc2c1ncn(CC(=O)NCc1ccc3OCOc3c1)c2=O Show InChI InChI=1S/C22H20N6O4/c1-13-3-5-16(7-14(13)2)28-21-20(25-26-28)22(30)27(11-24-21)10-19(29)23-9-15-4-6-17-18(8-15)32-12-31-17/h3-8,11H,9-10,12H2,1-2H3,(H,23,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Osaka Prefecture University Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) by ELISA				Bioorg Med Chem Lett 26: 955-8 (2016) BindingDB Entry DOI: 10.7270/Q24J0GZQ
					More data for this Ligand-Target Pair