BDBM27781 N-[2-amino-5-(4-fluorophenyl)phenyl]-4-{1,8-diazaspiro[4.5]decan-8-ylcarbonyl}benzamide::terephthalamide, 29

SMILES: Nc1ccc(cc1NC(=O)c1ccc(cc1)C(=O)N1CCC2(CCCN2)CC1)-c1ccc(F)cc1

InChI Key: InChIKey=FUIWHQVIWYXEAV-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 27781   

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
Histone deacetylase 3 (Homo sapiens (Human))	BDBM27781 (N-[2-amino-5-(4-fluorophenyl)phenyl]-4-{1,8-diazas...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cc1)C(=O)N1CCC2(CCCN2)CC1)-c1ccc(F)cc1 Show InChI InChI=1S/C28H29FN4O2/c29-23-9-6-19(7-10-23)22-8-11-24(30)25(18-22)32-26(34)20-2-4-21(5-3-20)27(35)33-16-13-28(14-17-33)12-1-15-31-28/h2-11,18,31H,1,12-17,30H2,(H,32,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	25
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM27781 (N-[2-amino-5-(4-fluorophenyl)phenyl]-4-{1,8-diazas...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cc1)C(=O)N1CCC2(CCCN2)CC1)-c1ccc(F)cc1 Show InChI InChI=1S/C28H29FN4O2/c29-23-9-6-19(7-10-23)22-8-11-24(30)25(18-22)32-26(34)20-2-4-21(5-3-20)27(35)33-16-13-28(14-17-33)12-1-15-31-28/h2-11,18,31H,1,12-17,30H2,(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	8.0	37
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair