BDBM207629 US9265734, R01::US9796664, Compound R01

SMILES: Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccccc1N

InChI Key: InChIKey=VOPDXHFYDJAYNS-UHFFFAOYSA-N

Data: 2 KI  16 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 18 hits for monomerid = 207629   

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/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM207629 (US9265734, R01 | US9796664, Compound R01) Show SMILES Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccccc1N Show InChI InChI=1S/C20H25N3O2/c1-15-10-12-16(13-11-15)20(25)22-14-6-2-3-9-19(24)23-18-8-5-4-7-17(18)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,22,25)(H,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3 (unknown origin)/NCOR2 (unknown origin) using acetyl-Lys(Ac)-AMC as substrate preincubated for up to 3 hrs followed b...				J Med Chem 62: 11260-11279 (2019) Article DOI: 10.1021/acs.jmedchem.9b01489
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 1 (Homo sapiens (Human))	BDBM207629 (US9265734, R01 | US9796664, Compound R01) Show SMILES Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccccc1N Show InChI InChI=1S/C20H25N3O2/c1-15-10-12-16(13-11-15)20(25)22-14-6-2-3-9-19(24)23-18-8-5-4-7-17(18)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,22,25)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1 (unknown origin) using acetyl-Lys(Ac)-AMC as substrate preincubated for up to 3 hrs followed by substrate addition an...				J Med Chem 62: 11260-11279 (2019) Article DOI: 10.1021/acs.jmedchem.9b01489
					More data for this Ligand-Target Pair
Leukotriene A4 hydrolase (Homo sapiens (Human))	BDBM207629 (US9265734, R01 | US9796664, Compound R01) Show SMILES Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccccc1N Show InChI InChI=1S/C20H25N3O2/c1-15-10-12-16(13-11-15)20(25)22-14-6-2-3-9-19(24)23-18-8-5-4-7-17(18)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,22,25)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human LTA4H aminopeptidase activity expressed in Escherichia coli BL21 (DE3) pLysS assessed as formation of p-NA from Ala-p...				J Med Chem 60: 1817-1828 (2017) Article DOI: 10.1021/acs.jmedchem.6b01507 BindingDB Entry DOI: 10.7270/Q2VM4FJN
					More data for this Ligand-Target Pair
Leukotriene A4 hydrolase (Homo sapiens (Human))	BDBM207629 (US9265734, R01 | US9796664, Compound R01) Show SMILES Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccccc1N Show InChI InChI=1S/C20H25N3O2/c1-15-10-12-16(13-11-15)20(25)22-14-6-2-3-9-19(24)23-18-8-5-4-7-17(18)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,22,25)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human LTA4H Epoxide Hydrolase expressed in Escherichia coli BL21 (DE3) pLysS preincubated for 10 mins followed by addition ...				J Med Chem 60: 1817-1828 (2017) Article DOI: 10.1021/acs.jmedchem.6b01507 BindingDB Entry DOI: 10.7270/Q2VM4FJN
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM207629 (US9265734, R01 | US9796664, Compound R01) Show SMILES Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccccc1N Show InChI InChI=1S/C20H25N3O2/c1-15-10-12-16(13-11-15)20(25)22-14-6-2-3-9-19(24)23-18-8-5-4-7-17(18)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,22,25)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie Moléculaire de Reims, UMR 7312-CNRS, UFR Pharmacie , Université de Reims Champagne-Ardenne , 51 rue Cognacq-Jay , 51096 Reims Cedex , France. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal GST-tagged HDAC7 expressed in baculovirus infected insect cells preincubated for 2 hrs followed by Fluor-d...				J Med Chem 61: 1745-1766 (2018) Article DOI: 10.1021/acs.jmedchem.7b00115 BindingDB Entry DOI: 10.7270/Q2FT8PGH
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM207629 (US9265734, R01 | US9796664, Compound R01) Show SMILES Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccccc1N Show InChI InChI=1S/C20H25N3O2/c1-15-10-12-16(13-11-15)20(25)22-14-6-2-3-9-19(24)23-18-8-5-4-7-17(18)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,22,25)(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie Moléculaire de Reims, UMR 7312-CNRS, UFR Pharmacie , Université de Reims Champagne-Ardenne , 51 rue Cognacq-Jay , 51096 Reims Cedex , France. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal GST-tagged/C-terminal His-tagged HDAC4 expressed in baculovirus infected insect cells preincubated for 2 h...				J Med Chem 61: 1745-1766 (2018) Article DOI: 10.1021/acs.jmedchem.7b00115 BindingDB Entry DOI: 10.7270/Q2FT8PGH
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM207629 (US9265734, R01 | US9796664, Compound R01) Show SMILES Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccccc1N Show InChI InChI=1S/C20H25N3O2/c1-15-10-12-16(13-11-15)20(25)22-14-6-2-3-9-19(24)23-18-8-5-4-7-17(18)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,22,25)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie Moléculaire de Reims, UMR 7312-CNRS, UFR Pharmacie , Université de Reims Champagne-Ardenne , 51 rue Cognacq-Jay , 51096 Reims Cedex , France. Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin) preincubated for 2 hrs followed by Fluor-de-Lys substrate addition measured after 30 mins by fluorescence assay				J Med Chem 61: 1745-1766 (2018) Article DOI: 10.1021/acs.jmedchem.7b00115 BindingDB Entry DOI: 10.7270/Q2FT8PGH
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM207629 (US9265734, R01 | US9796664, Compound R01) Show SMILES Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccccc1N Show InChI InChI=1S/C20H25N3O2/c1-15-10-12-16(13-11-15)20(25)22-14-6-2-3-9-19(24)23-18-8-5-4-7-17(18)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,22,25)(H,23,24)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie Moléculaire de Reims, UMR 7312-CNRS, UFR Pharmacie , Université de Reims Champagne-Ardenne , 51 rue Cognacq-Jay , 51096 Reims Cedex , France. Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal His-tagged HDAC5 expressed in baculovirus infected insect cells preincubated for 2 hrs followed by Fluor-d...				J Med Chem 61: 1745-1766 (2018) Article DOI: 10.1021/acs.jmedchem.7b00115 BindingDB Entry DOI: 10.7270/Q2FT8PGH
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM207629 (US9265734, R01 | US9796664, Compound R01) Show SMILES Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccccc1N Show InChI InChI=1S/C20H25N3O2/c1-15-10-12-16(13-11-15)20(25)22-14-6-2-3-9-19(24)23-18-8-5-4-7-17(18)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,22,25)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie Moléculaire de Reims, UMR 7312-CNRS, UFR Pharmacie , Université de Reims Champagne-Ardenne , 51 rue Cognacq-Jay , 51096 Reims Cedex , France. Curated by ChEMBL					Assay Description Inhibition of human full length C-terminal FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 insect cells preincubated for 2 hrs followed by Fl...				J Med Chem 61: 1745-1766 (2018) Article DOI: 10.1021/acs.jmedchem.7b00115 BindingDB Entry DOI: 10.7270/Q2FT8PGH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM207629 (US9265734, R01 | US9796664, Compound R01) Show SMILES Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccccc1N Show InChI InChI=1S/C20H25N3O2/c1-15-10-12-16(13-11-15)20(25)22-14-6-2-3-9-19(24)23-18-8-5-4-7-17(18)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,22,25)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie Moléculaire de Reims, UMR 7312-CNRS, UFR Pharmacie , Université de Reims Champagne-Ardenne , 51 rue Cognacq-Jay , 51096 Reims Cedex , France. Curated by ChEMBL					Assay Description Inhibition of human full length C-terminal His/FLAG-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells preincubated for 2 hrs followed b...				J Med Chem 61: 1745-1766 (2018) Article DOI: 10.1021/acs.jmedchem.7b00115 BindingDB Entry DOI: 10.7270/Q2FT8PGH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM207629 (US9265734, R01 | US9796664, Compound R01) Show SMILES Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccccc1N Show InChI InChI=1S/C20H25N3O2/c1-15-10-12-16(13-11-15)20(25)22-14-6-2-3-9-19(24)23-18-8-5-4-7-17(18)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,22,25)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
BIOMARIN PHARMACEUTICAL INC. US Patent					Assay Description HDAC inhibition assays can be performed, e.g., in a cell, in a cell extract, or in a cell-free mixture. Exemplary HDAC inhibition assays are describe...				US Patent US9796664 (2017) BindingDB Entry DOI: 10.7270/Q2222WW3
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM207629 (US9265734, R01 | US9796664, Compound R01) Show SMILES Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccccc1N Show InChI InChI=1S/C20H25N3O2/c1-15-10-12-16(13-11-15)20(25)22-14-6-2-3-9-19(24)23-18-8-5-4-7-17(18)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,22,25)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
BIOMARIN PHARMACEUTICAL INC. US Patent					Assay Description HDAC inhibition assays can be performed, e.g., in a cell, in a cell extract, or in a cell-free mixture. Exemplary HDAC inhibition assays are describe...				US Patent US9796664 (2017) BindingDB Entry DOI: 10.7270/Q2222WW3
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM207629 (US9265734, R01 | US9796664, Compound R01) Show SMILES Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccccc1N Show InChI InChI=1S/C20H25N3O2/c1-15-10-12-16(13-11-15)20(25)22-14-6-2-3-9-19(24)23-18-8-5-4-7-17(18)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,22,25)(H,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
BIOMARIN PHARMACEUTICAL INC. US Patent					Assay Description HDAC inhibition assays can be performed, e.g., in a cell, in a cell extract, or in a cell-free mixture. Exemplary HDAC inhibition assays are describe...				US Patent US9796664 (2017) BindingDB Entry DOI: 10.7270/Q2222WW3
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM207629 (US9265734, R01 | US9796664, Compound R01) Show SMILES Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccccc1N Show InChI InChI=1S/C20H25N3O2/c1-15-10-12-16(13-11-15)20(25)22-14-6-2-3-9-19(24)23-18-8-5-4-7-17(18)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,22,25)(H,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie Moléculaire de Reims, UMR 7312-CNRS, UFR Pharmacie , Université de Reims Champagne-Ardenne , 51 rue Cognacq-Jay , 51096 Reims Cedex , France. Curated by ChEMBL					Assay Description Inhibition of human full length C-terminal His-tagged HDAC3/N-terminal GST-tagged human NCOR2 co-expressed in baculovirus infected Sf9 insect cells p...				J Med Chem 61: 1745-1766 (2018) Article DOI: 10.1021/acs.jmedchem.7b00115 BindingDB Entry DOI: 10.7270/Q2FT8PGH
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM207629 (US9265734, R01 | US9796664, Compound R01) Show SMILES Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccccc1N Show InChI InChI=1S/C20H25N3O2/c1-15-10-12-16(13-11-15)20(25)22-14-6-2-3-9-19(24)23-18-8-5-4-7-17(18)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,22,25)(H,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin)				Eur J Med Chem 157: 1127-1142 (2018) Article DOI: 10.1016/j.ejmech.2018.08.081 BindingDB Entry DOI: 10.7270/Q2KW5JQS
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM207629 (US9265734, R01 | US9796664, Compound R01) Show SMILES Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccccc1N Show InChI InChI=1S/C20H25N3O2/c1-15-10-12-16(13-11-15)20(25)22-14-6-2-3-9-19(24)23-18-8-5-4-7-17(18)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,22,25)(H,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
BIOMARIN PHARMACEUTICAL INC. US Patent					Assay Description HDAC enzyme inhibition assays were performed using purified HDACs 1-10 essentially as described in Beckers et al., 2007, Int. J. Cancer., 121:1138-48...				US Patent US9265734 (2016) BindingDB Entry DOI: 10.7270/Q2BK1B5B
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM207629 (US9265734, R01 | US9796664, Compound R01) Show SMILES Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccccc1N Show InChI InChI=1S/C20H25N3O2/c1-15-10-12-16(13-11-15)20(25)22-14-6-2-3-9-19(24)23-18-8-5-4-7-17(18)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,22,25)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
BIOMARIN PHARMACEUTICAL INC. US Patent					Assay Description HDAC enzyme inhibition assays were performed using purified HDACs 1-10 essentially as described in Beckers et al., 2007, Int. J. Cancer., 121:1138-48...				US Patent US9265734 (2016) BindingDB Entry DOI: 10.7270/Q2BK1B5B
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM207629 (US9265734, R01 | US9796664, Compound R01) Show SMILES Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccccc1N Show InChI InChI=1S/C20H25N3O2/c1-15-10-12-16(13-11-15)20(25)22-14-6-2-3-9-19(24)23-18-8-5-4-7-17(18)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,22,25)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
BIOMARIN PHARMACEUTICAL INC. US Patent					Assay Description HDAC enzyme inhibition assays were performed using purified HDACs 1-10 essentially as described in Beckers et al., 2007, Int. J. Cancer., 121:1138-48...				US Patent US9265734 (2016) BindingDB Entry DOI: 10.7270/Q2BK1B5B
					More data for this Ligand-Target Pair