BDBM50115397 CHEMBL3608462

SMILES: OC[C@@H](N1CCCn2cc(cc2C1=O)-c1ccnc(NC2CCOCC2)n1)c1ccccc1

InChI Key: InChIKey=QGLYANQKQKONGT-HSZRJFAPSA-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 = 50115397   

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))	BDBM50115397 (CHEMBL3608462) Show SMILES OC[C@@H](N1CCCn2cc(cc2C1=O)-c1ccnc(NC2CCOCC2)n1)c1ccccc1 |r| Show InChI InChI=1S/C25H29N5O3/c31-17-23(18-5-2-1-3-6-18)30-12-4-11-29-16-19(15-22(29)24(30)32)21-7-10-26-25(28-21)27-20-8-13-33-14-9-20/h1-3,5-7,10,15-16,20,23,31H,4,8-9,11-14,17H2,(H,26,27,28)/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 Similars	PubMed	n/a	n/a	0.0330	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