BDBM27776 N-[2-amino-5-(2-fluorophenyl)phenyl]-4-{1,8-diazaspiro[4.5]decan-8-ylmethyl}benzamide::biphenyl diamine analogue, 24

SMILES: Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1)-c1ccccc1F

InChI Key: InChIKey=HSHBIVVLOXFRND-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 = 27776   

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 1 (Homo sapiens (Human))	BDBM27776 (N-[2-amino-5-(2-fluorophenyl)phenyl]-4-{1,8-diazas...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1)-c1ccccc1F Show InChI InChI=1S/C28H31FN4O/c29-24-5-2-1-4-23(24)22-10-11-25(30)26(18-22)32-27(34)21-8-6-20(7-9-21)19-33-16-13-28(14-17-33)12-3-15-31-28/h1-2,4-11,18,31H,3,12-17,19,30H2,(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	16	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
Histone deacetylase 3 (Homo sapiens (Human))	BDBM27776 (N-[2-amino-5-(2-fluorophenyl)phenyl]-4-{1,8-diazas...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1)-c1ccccc1F Show InChI InChI=1S/C28H31FN4O/c29-24-5-2-1-4-23(24)22-10-11-25(30)26(18-22)32-27(34)21-8-6-20(7-9-21)19-33-16-13-28(14-17-33)12-3-15-31-28/h1-2,4-11,18,31H,3,12-17,19,30H2,(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	1.74E+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