BDBM50166415 CHEMBL3799819

SMILES: CC(C)Nc1cc(-c2c[nH]c(c2)C(=O)N[C@H](CO)c2ccccc2)c(Cl)cn1

InChI Key: InChIKey=JMRBTHGMBQQAQI-LJQANCHMSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50166415   

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))	BDBM50166415 (CHEMBL3799819) Show SMILES CC(C)Nc1cc(-c2c[nH]c(c2)C(=O)N[C@H](CO)c2ccccc2)c(Cl)cn1 |r| Show InChI InChI=1S/C21H23ClN4O2/c1-13(2)25-20-9-16(17(22)11-24-20)15-8-18(23-10-15)21(28)26-19(12-27)14-6-4-3-5-7-14/h3-11,13,19,23,27H,12H2,1-2H3,(H,24,25)(H,26,28)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	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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