BDBM25186 CHEMBL248486::N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)benzamide::phenyl analogue, 35g

SMILES: FC(F)(F)C(=O)c1ccc(cc1)C(=O)NCC1CCCCC1

InChI Key: InChIKey=JJGHOMRZTGDXDD-UHFFFAOYSA-N

Data: 2 IC50  4 Other

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 6 hits for monomerid = 25186   

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))	BDBM25186 (CHEMBL248486 | N-(cyclohexylmethyl)-4-(2,2,2-trifl...) Show SMILES FC(F)(F)C(=O)c1ccc(cc1)C(=O)NCC1CCCCC1 Show InChI InChI=1S/C16H18F3NO2/c17-16(18,19)14(21)12-6-8-13(9-7-12)15(22)20-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					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 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM25186 (CHEMBL248486 | N-(cyclohexylmethyl)-4-(2,2,2-trifl...) Show SMILES FC(F)(F)C(=O)c1ccc(cc1)C(=O)NCC1CCCCC1 Show InChI InChI=1S/C16H18F3NO2/c17-16(18,19)14(21)12-6-8-13(9-7-12)15(22)20-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,20,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					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 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase (Homo sapiens (Human))	BDBM25186 (CHEMBL248486 | N-(cyclohexylmethyl)-4-(2,2,2-trifl...) Show SMILES FC(F)(F)C(=O)c1ccc(cc1)C(=O)NCC1CCCCC1 Show InChI InChI=1S/C16H18F3NO2/c17-16(18,19)14(21)12-6-8-13(9-7-12)15(22)20-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharma USA, LLC. Curated by ChEMBL					Assay Description Inhibition of MBP fused human MCD				Bioorg Med Chem Lett 17: 1127-30 (2007) Article DOI: 10.1016/j.bmcl.2006.09.023 BindingDB Entry DOI: 10.7270/Q2MP52XX
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM25186 (CHEMBL248486 | N-(cyclohexylmethyl)-4-(2,2,2-trifl...) Show SMILES FC(F)(F)C(=O)c1ccc(cc1)C(=O)NCC1CCCCC1 Show InChI InChI=1S/C16H18F3NO2/c17-16(18,19)14(21)12-6-8-13(9-7-12)15(22)20-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					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 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM25186 (CHEMBL248486 | N-(cyclohexylmethyl)-4-(2,2,2-trifl...) Show SMILES FC(F)(F)C(=O)c1ccc(cc1)C(=O)NCC1CCCCC1 Show InChI InChI=1S/C16H18F3NO2/c17-16(18,19)14(21)12-6-8-13(9-7-12)15(22)20-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					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 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair
Histone Deacetylase 4 (HDAC4) Mutant (H976Y) (Homo sapiens (Human))	BDBM25186 (CHEMBL248486 | N-(cyclohexylmethyl)-4-(2,2,2-trifl...) Show SMILES FC(F)(F)C(=O)c1ccc(cc1)C(=O)NCC1CCCCC1 Show InChI InChI=1S/C16H18F3NO2/c17-16(18,19)14(21)12-6-8-13(9-7-12)15(22)20-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,20,22)	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					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 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair