BDBM27780 N-[2-amino-5-(2-fluorophenyl)phenyl]-4-{1,8-diazaspiro[4.5]decan-8-ylcarbonyl}benzamide::terephthalamide, 28

SMILES: Nc1ccc(cc1NC(=O)c1ccc(cc1)C(=O)N1CCC2(CCCN2)CC1)-c1ccccc1F

InChI Key: InChIKey=TYKXYCJXHZGPIA-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 = 27780   

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))	BDBM27780 (N-[2-amino-5-(2-fluorophenyl)phenyl]-4-{1,8-diazas...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cc1)C(=O)N1CCC2(CCCN2)CC1)-c1ccccc1F Show InChI InChI=1S/C28H29FN4O2/c29-23-5-2-1-4-22(23)21-10-11-24(30)25(18-21)32-26(34)19-6-8-20(9-7-19)27(35)33-16-13-28(14-17-33)12-3-15-31-28/h1-2,4-11,18,31H,3,12-17,30H2,(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	>5.00E+4	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))	BDBM27780 (N-[2-amino-5-(2-fluorophenyl)phenyl]-4-{1,8-diazas...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cc1)C(=O)N1CCC2(CCCN2)CC1)-c1ccccc1F Show InChI InChI=1S/C28H29FN4O2/c29-23-5-2-1-4-22(23)21-10-11-24(30)25(18-21)32-26(34)19-6-8-20(9-7-19)27(35)33-16-13-28(14-17-33)12-3-15-31-28/h1-2,4-11,18,31H,3,12-17,30H2,(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	11	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