BDBM50114871 CHEMBL3609826

SMILES: CNc1ccc(c(Nc2ccc3[nH]ncc3c2)n1)[N+]([O-])=O

InChI Key: InChIKey=NDJJEQIMIJJCLL-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 = 50114871   

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
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50114871 (CHEMBL3609826) Show SMILES CNc1ccc(c(Nc2ccc3[nH]ncc3c2)n1)[N+]([O-])=O Show InChI InChI=1S/C13H12N6O2/c1-14-12-5-4-11(19(20)21)13(17-12)16-9-2-3-10-8(6-9)7-15-18-10/h2-7H,1H3,(H,15,18)(H2,14,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of New South Wales Curated by ChEMBL					Assay Description Inhibition of HSF1 (unknown origin) assessed as reduction in HSF1--mediated HSP transcription				Bioorg Med Chem Lett 25: 3409-14 (2015) BindingDB Entry DOI: 10.7270/Q2RJ4M8H
					More data for this Ligand-Target Pair