BDBM50413216 CHEMBL457707

SMILES: COc1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(c1)[N+]([O-])=O

InChI Key: InChIKey=PFJMENUJRILQMQ-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 = 50413216   

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
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50413216 (CHEMBL457707) Show SMILES COc1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C20H16N6O3S/c1-29-13-2-3-17(18(12-13)26(27)28)24-9-5-14-16(4-7-21-19(14)24)25-10-6-15(23-25)20-22-8-11-30-20/h2-4,6-8,10-12H,5,9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells by SPA				J Med Chem 51: 7273-86 (2009) Article DOI: 10.1021/jm800743q BindingDB Entry DOI: 10.7270/Q2TT4S62
					More data for this Ligand-Target Pair