BDBM50388632 CHEMBL2059549

SMILES: CC(C)(C)OC(=O)CN(Cc1ccc(s1)[N+]([O-])=O)S(=O)(=O)c1cccc2ccccc12

InChI Key: InChIKey=NDKBFNNGYBCXEC-UHFFFAOYSA-N

Data: 1 EC50

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 = 50388632   

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
Nuclear receptor subfamily 1 group D member 1 (Homo sapiens (Human))	BDBM50388632 (CHEMBL2059549) Show SMILES CC(C)(C)OC(=O)CN(Cc1ccc(s1)[N+]([O-])=O)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C21H22N2O6S2/c1-21(2,3)29-20(24)14-22(13-16-11-12-19(30-16)23(25)26)31(27,28)18-10-6-8-15-7-4-5-9-17(15)18/h4-12H,13-14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...				Bioorg Med Chem Lett 22: 4413-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.126 BindingDB Entry DOI: 10.7270/Q2D21ZPZ
					More data for this Ligand-Target Pair