BDBM104031 Aryl Nilutamide HDACi analog 14f

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

InChI Key: InChIKey=JPPHVMZPPNSTDX-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 = 104031   

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))	BDBM104031 (Aryl Nilutamide HDACi analog 14f) Show SMILES CC1(C)N(Cc2ccc(cc2)-c2cn(CCCCCCCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C31H34F3N7O4/c1-30(2)28(43)41(24-15-14-23(18-35)25(17-24)31(32,33)34)29(44)40(30)19-21-10-12-22(13-11-21)26-20-39(38-36-26)16-8-6-4-3-5-7-9-27(42)37-45/h10-15,17,20,45H,3-9,16,19H2,1-2H3,(H,37,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.06E+3	n/a	1.59E+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