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

InChI Key: InChIKey=VSQYNPFJSKCIBC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 104032   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Androgen receptor


(Homo sapiens (Human))		BDBM104032
PNG
(Alkyl Nilutamide HDACi analog 15a)
Show SMILES CC1(C)N(CCCCc2cn(CCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H26F3N7O4/c1-22(2)20(35)33(17-9-8-15(13-27)18(12-17)23(24,25)26)21(36)32(22)11-4-3-6-16-14-31(30-28-16)10-5-7-19(34)29-37/h8-9,12,14,37H,3-7,10-11H2,1-2H3,(H,29,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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Similars
Article
PubMed
 3.96E+3n/a 5.93E+3n/an/an/an/an/an/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