BDBM104035 Alkyl Nilutamide HDACi analog 15d

SMILES: CC1(C)N(CCCCc2cn(CCCCCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

InChI Key: InChIKey=XDLCRXCDPOGMRP-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 = 104035   

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))	BDBM104035 (Alkyl Nilutamide HDACi analog 15d) Show SMILES CC1(C)N(CCCCc2cn(CCCCCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C26H32F3N7O4/c1-25(2)23(38)36(20-12-11-18(16-30)21(15-20)26(27,28)29)24(39)35(25)14-8-6-9-19-17-34(33-31-19)13-7-4-3-5-10-22(37)32-40/h11-12,15,17,40H,3-10,13-14H2,1-2H3,(H,32,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.60E+3	n/a	3.91E+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