BDBM50063578 CHEMBL3398594

SMILES: Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ccccc3F)C2)cc1Cl

InChI Key: InChIKey=PMQZCTFZDGONBS-OAQYLSRUSA-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 = 50063578   

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))	BDBM50063578 (CHEMBL3398594) Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ccccc3F)C2)cc1Cl |r| Show InChI InChI=1S/C29H30ClFN4O3/c30-25-17-22(7-10-27(25)36)32-29(38)21-11-12-33(18-21)19-28(37)35-15-13-34(14-16-35)23-8-5-20(6-9-23)24-3-1-2-4-26(24)31/h1-10,17,21,36H,11-16,18-19H2,(H,32,38)/t21-/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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of non-activated Erk2 (unknown origin) using activating Mek1 and peptide substrate by coupled Erk2 assay				Bioorg Med Chem Lett 25: 1627-9 (2015) Article DOI: 10.1016/j.bmcl.2015.01.049 BindingDB Entry DOI: 10.7270/Q2BK1F1S
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