BDBM50113657 CHEMBL3604851

SMILES: Brc1cccc(Cn2ccc(cc2=O)N2CCc3[nH]nc(c3C2)-c2ccncc2)c1

InChI Key: InChIKey=FKUNEUIRRSVKDT-UHFFFAOYSA-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 = 50113657   

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))	BDBM50113657 (CHEMBL3604851) Show SMILES Brc1cccc(Cn2ccc(cc2=O)N2CCc3[nH]nc(c3C2)-c2ccncc2)c1 Show InChI InChI=1S/C23H20BrN5O/c24-18-3-1-2-16(12-18)14-29-10-6-19(13-22(29)30)28-11-7-21-20(15-28)23(27-26-21)17-4-8-25-9-5-17/h1-6,8-10,12-13H,7,11,14-15H2,(H,26,27)	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	0.200	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: 3626-9 (2015) BindingDB Entry DOI: 10.7270/Q2QR4ZXX
					More data for this Ligand-Target Pair