BDBM50398718 CHEMBL2179245::US9409858, 8b::US9751832, Compound 8b

SMILES: COCCCN(C(=O)NCc1ccc(cc1)C(=O)NO)c1ccccc1

InChI Key: InChIKey=RNXFXOKURDMGIR-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50398718   

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))	BDBM50398718 (CHEMBL2179245 | US9409858, 8b | US9751832, Compoun...) Show SMILES COCCCN(C(=O)NCc1ccc(cc1)C(=O)NO)c1ccccc1 Show InChI InChI=1S/C19H23N3O4/c1-26-13-5-12-22(17-6-3-2-4-7-17)19(24)20-14-15-8-10-16(11-9-15)18(23)21-25/h2-4,6-11,25H,5,12-14H2,1H3,(H,20,24)(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	8.0	n/a
H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois US Patent					Assay Description HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...				US Patent US9409858 (2016) BindingDB Entry DOI: 10.7270/Q21V5CWN
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50398718 (CHEMBL2179245 | US9409858, 8b | US9751832, Compoun...) Show SMILES COCCCN(C(=O)NCc1ccc(cc1)C(=O)NO)c1ccccc1 Show InChI InChI=1S/C19H23N3O4/c1-26-13-5-12-22(17-6-3-2-4-7-17)19(24)20-14-15-8-10-16(11-9-15)18(23)21-25/h2-4,6-11,25H,5,12-14H2,1H3,(H,20,24)(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	60.3	n/a	n/a	n/a	n/a	8.0	n/a
H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois US Patent					Assay Description HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...				US Patent US9409858 (2016) BindingDB Entry DOI: 10.7270/Q21V5CWN
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50398718 (CHEMBL2179245 | US9409858, 8b | US9751832, Compoun...) Show SMILES COCCCN(C(=O)NCc1ccc(cc1)C(=O)NO)c1ccccc1 Show InChI InChI=1S/C19H23N3O4/c1-26-13-5-12-22(17-6-3-2-4-7-17)19(24)20-14-15-8-10-16(11-9-15)18(23)21-25/h2-4,6-11,25H,5,12-14H2,1H3,(H,20,24)(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	60.3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois US Patent									US Patent US9751832 (2017)
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50398718 (CHEMBL2179245 | US9409858, 8b | US9751832, Compoun...) Show SMILES COCCCN(C(=O)NCc1ccc(cc1)C(=O)NO)c1ccccc1 Show InChI InChI=1S/C19H23N3O4/c1-26-13-5-12-22(17-6-3-2-4-7-17)19(24)20-14-15-8-10-16(11-9-15)18(23)21-25/h2-4,6-11,25H,5,12-14H2,1H3,(H,20,24)(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate				J Med Chem 55: 9891-9 (2012) Article DOI: 10.1021/jm301098e BindingDB Entry DOI: 10.7270/Q2WQ04XP
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50398718 (CHEMBL2179245 | US9409858, 8b | US9751832, Compoun...) Show SMILES COCCCN(C(=O)NCc1ccc(cc1)C(=O)NO)c1ccccc1 Show InChI InChI=1S/C19H23N3O4/c1-26-13-5-12-22(17-6-3-2-4-7-17)19(24)20-14-15-8-10-16(11-9-15)18(23)21-25/h2-4,6-11,25H,5,12-14H2,1H3,(H,20,24)(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois US Patent									US Patent US9751832 (2017)
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50398718 (CHEMBL2179245 | US9409858, 8b | US9751832, Compoun...) Show SMILES COCCCN(C(=O)NCc1ccc(cc1)C(=O)NO)c1ccccc1 Show InChI InChI=1S/C19H23N3O4/c1-26-13-5-12-22(17-6-3-2-4-7-17)19(24)20-14-15-8-10-16(11-9-15)18(23)21-25/h2-4,6-11,25H,5,12-14H2,1H3,(H,20,24)(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	60.3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate				J Med Chem 55: 9891-9 (2012) Article DOI: 10.1021/jm301098e BindingDB Entry DOI: 10.7270/Q2WQ04XP
					More data for this Ligand-Target Pair