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SMILES: ONC(=O)c1ccc(Cn2c3ncccc3c(=O)n(CCc3ccccc3)c2=O)cc1

InChI Key: InChIKey=HRQSKMQSNCMRDZ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50507698   

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))	BDBM50507698 (CHEMBL4438057) Show SMILES ONC(=O)c1ccc(Cn2c3ncccc3c(=O)n(CCc3ccccc3)c2=O)cc1 Show InChI InChI=1S/C23H20N4O4/c28-21(25-31)18-10-8-17(9-11-18)15-27-20-19(7-4-13-24-20)22(29)26(23(27)30)14-12-16-5-2-1-3-6-16/h1-11,13,31H,12,14-15H2,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AnnJi Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human full-length recombinant HDAC6 expressed in baculovirus infected Sf9 insect cells using Boc-Lys (Ac)-AMC as substrate preincubated...				J Med Chem 62: 857-874 (2019) Article DOI: 10.1021/acs.jmedchem.8b01590
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50507698 (CHEMBL4438057) Show SMILES ONC(=O)c1ccc(Cn2c3ncccc3c(=O)n(CCc3ccccc3)c2=O)cc1 Show InChI InChI=1S/C23H20N4O4/c28-21(25-31)18-10-8-17(9-11-18)15-27-20-19(7-4-13-24-20)22(29)26(23(27)30)14-12-16-5-2-1-3-6-16/h1-11,13,31H,12,14-15H2,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AnnJi Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human HDAC6 CD2 expressed in Escherichia coli BL21 (RIL) using Boc-Lys (Ac)-AMC as substrate preincubated for 10 mins followed by subst...				J Med Chem 62: 857-874 (2019) Article DOI: 10.1021/acs.jmedchem.8b01590
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50507698 (CHEMBL4438057) Show SMILES ONC(=O)c1ccc(Cn2c3ncccc3c(=O)n(CCc3ccccc3)c2=O)cc1 Show InChI InChI=1S/C23H20N4O4/c28-21(25-31)18-10-8-17(9-11-18)15-27-20-19(7-4-13-24-20)22(29)26(23(27)30)14-12-16-5-2-1-3-6-16/h1-11,13,31H,12,14-15H2,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
AnnJi Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human full-length recombinant HDAC6 expressed in baculovirus infected Sf9 insect cells using fluorogenic peptide RHKKAc as substrate af...				J Med Chem 62: 857-874 (2019) Article DOI: 10.1021/acs.jmedchem.8b01590
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50507698 (CHEMBL4438057) Show SMILES ONC(=O)c1ccc(Cn2c3ncccc3c(=O)n(CCc3ccccc3)c2=O)cc1 Show InChI InChI=1S/C23H20N4O4/c28-21(25-31)18-10-8-17(9-11-18)15-27-20-19(7-4-13-24-20)22(29)26(23(27)30)14-12-16-5-2-1-3-6-16/h1-11,13,31H,12,14-15H2,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
AnnJi Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human full-length recombinant HDAC8 expressed in baculovirus infected Sf9 insect cells using fluorogenic peptide RHKAcKAc as substrate ...				J Med Chem 62: 857-874 (2019) Article DOI: 10.1021/acs.jmedchem.8b01590
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50507698 (CHEMBL4438057) Show SMILES ONC(=O)c1ccc(Cn2c3ncccc3c(=O)n(CCc3ccccc3)c2=O)cc1 Show InChI InChI=1S/C23H20N4O4/c28-21(25-31)18-10-8-17(9-11-18)15-27-20-19(7-4-13-24-20)22(29)26(23(27)30)14-12-16-5-2-1-3-6-16/h1-11,13,31H,12,14-15H2,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
AnnJi Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human full-length recombinant HDAC1 expressed in baculovirus infected Sf9 insect cells using fluorogenic peptide RHKKAc as substrate af...				J Med Chem 62: 857-874 (2019) Article DOI: 10.1021/acs.jmedchem.8b01590
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50507698 (CHEMBL4438057) Show SMILES ONC(=O)c1ccc(Cn2c3ncccc3c(=O)n(CCc3ccccc3)c2=O)cc1 Show InChI InChI=1S/C23H20N4O4/c28-21(25-31)18-10-8-17(9-11-18)15-27-20-19(7-4-13-24-20)22(29)26(23(27)30)14-12-16-5-2-1-3-6-16/h1-11,13,31H,12,14-15H2,(H,25,28)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
AnnJi Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human full-length recombinant HDAC11 expressed in baculovirus infected Sf9 insect cells using fluorogenic peptide RHKKAc as substrate a...				J Med Chem 62: 857-874 (2019) Article DOI: 10.1021/acs.jmedchem.8b01590
					More data for this Ligand-Target Pair