BDBM50115401 CHEMBL3608589

SMILES: OC[C@@H](N1CCCn2cc(cc2C1=O)-c1ccnc(NC2CCOCC2)n1)c1cc(F)cc(Cl)c1

InChI Key: InChIKey=GLQKDONMZPBGGT-HSZRJFAPSA-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 = 50115401   

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))	BDBM50115401 (CHEMBL3608589) Show SMILES OC[C@@H](N1CCCn2cc(cc2C1=O)-c1ccnc(NC2CCOCC2)n1)c1cc(F)cc(Cl)c1 |r| Show InChI InChI=1S/C25H27ClFN5O3/c26-18-10-16(11-19(27)13-18)23(15-33)32-7-1-6-31-14-17(12-22(31)24(32)34)21-2-5-28-25(30-21)29-20-3-8-35-9-4-20/h2,5,10-14,20,23,33H,1,3-4,6-9,15H2,(H,28,29,30)/t23-/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 Patents Similars	PubMed	n/a	n/a	0.0190	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin)				Bioorg Med Chem Lett 25: 3788-92 (2015) BindingDB Entry DOI: 10.7270/Q2G44S3Q
					More data for this Ligand-Target Pair