BDBM50166426 CHEMBL3798700

SMILES: OCC(NC(=O)c1ccc2[nH]nc(C3CCOCC3)c2c1)c1cccc(Cl)c1

InChI Key: InChIKey=QCFBVHCFUXZZKC-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 = 50166426   

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))	BDBM50166426 (CHEMBL3798700) Show SMILES OCC(NC(=O)c1ccc2[nH]nc(C3CCOCC3)c2c1)c1cccc(Cl)c1 Show InChI InChI=1S/C21H22ClN3O3/c22-16-3-1-2-14(10-16)19(12-26)23-21(27)15-4-5-18-17(11-15)20(25-24-18)13-6-8-28-9-7-13/h1-5,10-11,13,19,26H,6-9,12H2,(H,23,27)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	297	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