null

SMILES: ONC(=O)c1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1

InChI Key:

PDB links: 1 PDB ID matches this monomer.

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 15 hits for monomerid = 50583624   

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 6 (Homo sapiens (Human))	BDBM50583624 (CHEMBL5075135) Show SMILES ONC(=O)c1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human HDAC6 by jump dilution assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01922 BindingDB Entry DOI: 10.7270/Q2NC6530
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50583624 (CHEMBL5075135) Show SMILES ONC(=O)c1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC6 (unknown origin) by fluorescence polarization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01922 BindingDB Entry DOI: 10.7270/Q2NC6530
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50583624 (CHEMBL5075135) Show SMILES ONC(=O)c1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1 Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	8.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length human HDAC5 using FAM-labeled acetylated peptide as substrate by electrophoretic mobility shift assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01922 BindingDB Entry DOI: 10.7270/Q2NC6530
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50583624 (CHEMBL5075135) Show SMILES ONC(=O)c1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length human HDAC6 using FAM-labeled acetylated peptide as substrate by electrophoretic mobility shift assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01922 BindingDB Entry DOI: 10.7270/Q2NC6530
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50583624 (CHEMBL5075135) Show SMILES ONC(=O)c1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length human HDAC4 using FAM-labeled acetylated peptide as substrate by electrophoretic mobility shift assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01922 BindingDB Entry DOI: 10.7270/Q2NC6530
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50583624 (CHEMBL5075135) Show SMILES ONC(=O)c1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	7.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length human HDAC7 using FAM-labeled acetylated peptide as substrate by electrophoretic mobility shift assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01922 BindingDB Entry DOI: 10.7270/Q2NC6530
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50583624 (CHEMBL5075135) Show SMILES ONC(=O)c1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length human HDAC2 using FAM-labeled acetylated peptide as substrate by electrophoretic mobility shift assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01922 BindingDB Entry DOI: 10.7270/Q2NC6530
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50583624 (CHEMBL5075135) Show SMILES ONC(=O)c1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	921	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length human HDAC1 using FAM-labeled acetylated peptide as substrate by electrophoretic mobility shift assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01922 BindingDB Entry DOI: 10.7270/Q2NC6530
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50583624 (CHEMBL5075135) Show SMILES ONC(=O)c1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	373	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length human HDAC3 using FAM-labeled acetylated peptide as substrate by electrophoretic mobility shift assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01922 BindingDB Entry DOI: 10.7270/Q2NC6530
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50583624 (CHEMBL5075135) Show SMILES ONC(=O)c1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length human HDAC9 using FAM-labeled acetylated peptide as substrate by electrophoretic mobility shift assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01922 BindingDB Entry DOI: 10.7270/Q2NC6530
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM50583624 (CHEMBL5075135) Show SMILES ONC(=O)c1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1 Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	572	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length human HDAC10 using FAM-labeled acetylated peptide as substrate by electrophoretic mobility shift assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01922 BindingDB Entry DOI: 10.7270/Q2NC6530
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50583624 (CHEMBL5075135) Show SMILES ONC(=O)c1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length human HDAC6 using FAM-labeled acetylated peptide as substrate without preincubation by mass spectrometry analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01922 BindingDB Entry DOI: 10.7270/Q2NC6530
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50583624 (CHEMBL5075135) Show SMILES ONC(=O)c1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length human HDAC6 preincubated for 3 hrs by mass spectrometry analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01922 BindingDB Entry DOI: 10.7270/Q2NC6530
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50583624 (CHEMBL5075135) Show SMILES ONC(=O)c1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length human HDAC8 using FAM-labeled acetylated peptide as substrate by electrophoretic mobility shift assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01922 BindingDB Entry DOI: 10.7270/Q2NC6530
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50583624 (CHEMBL5075135) Show SMILES ONC(=O)c1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1 Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length human HDAC11 using FAM-labeled acetylated peptide as substrate by electrophoretic mobility shift assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01922 BindingDB Entry DOI: 10.7270/Q2NC6530
					More data for this Ligand-Target Pair