BDBM50115399 CHEMBL3608464

SMILES: OC[C@@H](N1CCCn2cc(cc2C1=O)-c1ccnc(NC2CCOCC2F)n1)c1cccc(Cl)c1

InChI Key: InChIKey=JLRAWZHBMAWICX-POOLCLQXSA-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 = 50115399   

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))	BDBM50115399 (CHEMBL3608464) Show SMILES OC[C@@H](N1CCCn2cc(cc2C1=O)-c1ccnc(NC2CCOCC2F)n1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C25H27ClFN5O3/c26-18-4-1-3-16(11-18)23(14-33)32-9-2-8-31-13-17(12-22(31)24(32)34)20-5-7-28-25(29-20)30-21-6-10-35-15-19(21)27/h1,3-5,7,11-13,19,21,23,33H,2,6,8-10,14-15H2,(H,28,29,30)/t19?,21?,23-/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	PubMed	n/a	n/a	0.0350	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
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