BDBM104027 Aryl Nilutamide HDACi analog 14b

SMILES: CC1(C)N(Cc2ccc(cc2)-c2cn(CCCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

InChI Key: InChIKey=IWXOPZMEVKLLRD-UHFFFAOYSA-N

Data: 1 KI  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 = 104027   

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
Androgen Receptor (Homo sapiens (Human))	BDBM104027 (Aryl Nilutamide HDACi analog 14b) Show SMILES CC1(C)N(Cc2ccc(cc2)-c2cn(CCCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C27H26F3N7O4/c1-26(2)24(39)37(20-11-10-19(14-31)21(13-20)27(28,29)30)25(40)36(26)15-17-6-8-18(9-7-17)22-16-35(34-32-22)12-4-3-5-23(38)33-41/h6-11,13,16,41H,3-5,12,15H2,1-2H3,(H,33,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	670	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology					Assay Description A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...				ACS Chem Biol 8: 2550-60 (2013) Article DOI: 10.1021/cb400542w BindingDB Entry DOI: 10.7270/Q2CR5S01
					More data for this Ligand-Target Pair