BDBM18911 3-nitro-N-[4-({4-[(3-nitrobenzene)amido]phenyl}methyl)phenyl]benzamide::JP-000639

SMILES: [O-][N+](=O)c1cccc(c1)C(=O)Nc1ccc(Cc2ccc(NC(=O)c3cccc(c3)[N+]([O-])=O)cc2)cc1

InChI Key: InChIKey=IXRIZRKBHVSTSP-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 = 18911   

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
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18911 (3-nitro-N-[4-({4-[(3-nitrobenzene)amido]phenyl}met...) Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1ccc(Cc2ccc(NC(=O)c3cccc(c3)[N+]([O-])=O)cc2)cc1 Show InChI InChI=1S/C27H20N4O6/c32-26(20-3-1-5-24(16-20)30(34)35)28-22-11-7-18(8-12-22)15-19-9-13-23(14-10-19)29-27(33)21-4-2-6-25(17-21)31(36)37/h1-14,16-17H,15H2,(H,28,32)(H,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.81E+4	n/a	n/a	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				J Med Chem 41: 2503-12 (1998) Article DOI: 10.1021/jm9708691 BindingDB Entry DOI: 10.7270/Q2GM85KW
					More data for this Ligand-Target Pair