BDBM50166421 CHEMBL3800463

SMILES: CC(C)CC(NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1)c1cccc(Cl)c1

InChI Key: InChIKey=NAAALHRVSSIRAA-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 = 50166421   

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))	BDBM50166421 (CHEMBL3800463) Show SMILES CC(C)CC(NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1)c1cccc(Cl)c1 Show InChI InChI=1S/C24H23ClN4O/c1-15(2)12-22(17-4-3-5-19(25)13-17)27-24(30)18-6-7-21-20(14-18)23(29-28-21)16-8-10-26-11-9-16/h3-11,13-15,22H,12H2,1-2H3,(H,27,30)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+3	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
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