BDBM50036285 CHEMBL3353053

SMILES: Cn1cccc1C(=O)N1CCn2cc(cc2C1)C(=O)NO

InChI Key: InChIKey=HXYDFXUSMZJLIU-UHFFFAOYSA-N

Data: 11 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 11 hits for monomerid = 50036285   

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))	BDBM50036285 (CHEMBL3353053) Show SMILES Cn1cccc1C(=O)N1CCn2cc(cc2C1)C(=O)NO Show InChI InChI=1S/C14H16N4O3/c1-16-4-2-3-12(16)14(20)18-6-5-17-8-10(13(19)15-21)7-11(17)9-18/h2-4,7-8,21H,5-6,9H2,1H3,(H,15,19)	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	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of full length GST-tagged human HDAC1 using Arg-His-Lys-Lys(Ac) substrate incubated for 2 hrs by fluorescence assay				Bioorg Med Chem Lett 24: 5450-4 (2015) Article DOI: 10.1016/j.bmcl.2014.10.022 BindingDB Entry DOI: 10.7270/Q2B859QH
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50036285 (CHEMBL3353053) Show SMILES Cn1cccc1C(=O)N1CCn2cc(cc2C1)C(=O)NO Show InChI InChI=1S/C14H16N4O3/c1-16-4-2-3-12(16)14(20)18-6-5-17-8-10(13(19)15-21)7-11(17)9-18/h2-4,7-8,21H,5-6,9H2,1H3,(H,15,19)	PDB MMDB 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	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of full length C-terminal 6x-His tagged human HDAC2 using Arg-His-Lys-Lys(Ac) substrate incubated for 2 hrs by fluorescence assay				Bioorg Med Chem Lett 24: 5450-4 (2015) Article DOI: 10.1016/j.bmcl.2014.10.022 BindingDB Entry DOI: 10.7270/Q2B859QH
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50036285 (CHEMBL3353053) Show SMILES Cn1cccc1C(=O)N1CCn2cc(cc2C1)C(=O)NO Show InChI InChI=1S/C14H16N4O3/c1-16-4-2-3-12(16)14(20)18-6-5-17-8-10(13(19)15-21)7-11(17)9-18/h2-4,7-8,21H,5-6,9H2,1H3,(H,15,19)	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	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of full length C-terminal 6x-His tagged human HDAC3 using Arg-His-Lys-Lys(Ac) substrate incubated for 2 hrs by fluorescence assay				Bioorg Med Chem Lett 24: 5450-4 (2015) Article DOI: 10.1016/j.bmcl.2014.10.022 BindingDB Entry DOI: 10.7270/Q2B859QH
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50036285 (CHEMBL3353053) Show SMILES Cn1cccc1C(=O)N1CCn2cc(cc2C1)C(=O)NO Show InChI InChI=1S/C14H16N4O3/c1-16-4-2-3-12(16)14(20)18-6-5-17-8-10(13(19)15-21)7-11(17)9-18/h2-4,7-8,21H,5-6,9H2,1H3,(H,15,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human HDAC4 (627 to 1085 residues) using fluorogenic acetyl-Lys(trifluoroacetyl)-AMC substrate incubated for 2 hr...				Bioorg Med Chem Lett 24: 5450-4 (2015) Article DOI: 10.1016/j.bmcl.2014.10.022 BindingDB Entry DOI: 10.7270/Q2B859QH
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50036285 (CHEMBL3353053) Show SMILES Cn1cccc1C(=O)N1CCn2cc(cc2C1)C(=O)NO Show InChI InChI=1S/C14H16N4O3/c1-16-4-2-3-12(16)14(20)18-6-5-17-8-10(13(19)15-21)7-11(17)9-18/h2-4,7-8,21H,5-6,9H2,1H3,(H,15,19)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of C-terminal 6x-His tagged human HDAC5 (657 to 1123 residues) using fluorogenic acetyl-Lys(trifluoroacetyl)-AMC substrate incubated for 2...				Bioorg Med Chem Lett 24: 5450-4 (2015) Article DOI: 10.1016/j.bmcl.2014.10.022 BindingDB Entry DOI: 10.7270/Q2B859QH
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50036285 (CHEMBL3353053) Show SMILES Cn1cccc1C(=O)N1CCn2cc(cc2C1)C(=O)NO Show InChI InChI=1S/C14H16N4O3/c1-16-4-2-3-12(16)14(20)18-6-5-17-8-10(13(19)15-21)7-11(17)9-18/h2-4,7-8,21H,5-6,9H2,1H3,(H,15,19)	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	69	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HDAC6 in human HeLa cells assessed as reduction in K40 hyperacetylation of alpha-tubulin incubated for 6 hrs by immunofluorescence assa...				Bioorg Med Chem Lett 24: 5450-4 (2015) Article DOI: 10.1016/j.bmcl.2014.10.022 BindingDB Entry DOI: 10.7270/Q2B859QH
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50036285 (CHEMBL3353053) Show SMILES Cn1cccc1C(=O)N1CCn2cc(cc2C1)C(=O)NO Show InChI InChI=1S/C14H16N4O3/c1-16-4-2-3-12(16)14(20)18-6-5-17-8-10(13(19)15-21)7-11(17)9-18/h2-4,7-8,21H,5-6,9H2,1H3,(H,15,19)	PDB MMDB 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	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of full length C-terminal 6x-His tagged human HDAC8 using Arg-His-Lys(Ac)-Lys(Ac) substrate incubated for 2 hrs by fluorescence assay				Bioorg Med Chem Lett 24: 5450-4 (2015) Article DOI: 10.1016/j.bmcl.2014.10.022 BindingDB Entry DOI: 10.7270/Q2B859QH
					More data for this Ligand-Target Pair
Histone deacetylase 10 (Homo sapiens (Human))	BDBM50036285 (CHEMBL3353053) Show SMILES Cn1cccc1C(=O)N1CCn2cc(cc2C1)C(=O)NO Show InChI InChI=1S/C14H16N4O3/c1-16-4-2-3-12(16)14(20)18-6-5-17-8-10(13(19)15-21)7-11(17)9-18/h2-4,7-8,21H,5-6,9H2,1H3,(H,15,19)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human HDAC10 (1 to 481 residues) using Arg-His-Lys-Lys(Ac) substrate incubated for 2 hrs by fluorescence assay				Bioorg Med Chem Lett 24: 5450-4 (2015) Article DOI: 10.1016/j.bmcl.2014.10.022 BindingDB Entry DOI: 10.7270/Q2B859QH
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50036285 (CHEMBL3353053) Show SMILES Cn1cccc1C(=O)N1CCn2cc(cc2C1)C(=O)NO Show InChI InChI=1S/C14H16N4O3/c1-16-4-2-3-12(16)14(20)18-6-5-17-8-10(13(19)15-21)7-11(17)9-18/h2-4,7-8,21H,5-6,9H2,1H3,(H,15,19)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of full length N-terminal GST-tagged human HDAC11 using Arg-His-Lys-Lys(Ac) substrate incubated for 2 hrs by fluorescence assay				Bioorg Med Chem Lett 24: 5450-4 (2015) Article DOI: 10.1016/j.bmcl.2014.10.022 BindingDB Entry DOI: 10.7270/Q2B859QH
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50036285 (CHEMBL3353053) Show SMILES Cn1cccc1C(=O)N1CCn2cc(cc2C1)C(=O)NO Show InChI InChI=1S/C14H16N4O3/c1-16-4-2-3-12(16)14(20)18-6-5-17-8-10(13(19)15-21)7-11(17)9-18/h2-4,7-8,21H,5-6,9H2,1H3,(H,15,19)	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	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant N-GST-tagged HDAC6 (unknown origin) assessed as reduction in deacetylation of Ac-Arg-Gly-Lys(Ac)-AMC substrate by fluoresce...				Bioorg Med Chem Lett 24: 5450-4 (2015) Article DOI: 10.1016/j.bmcl.2014.10.022 BindingDB Entry DOI: 10.7270/Q2B859QH
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50036285 (CHEMBL3353053) Show SMILES Cn1cccc1C(=O)N1CCn2cc(cc2C1)C(=O)NO Show InChI InChI=1S/C14H16N4O3/c1-16-4-2-3-12(16)14(20)18-6-5-17-8-10(13(19)15-21)7-11(17)9-18/h2-4,7-8,21H,5-6,9H2,1H3,(H,15,19)	PDB MMDB 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	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human HDAC7 (518 to end residues) using fluorogenic acetyl-Lys(trifluoroacetyl)-AMC substrate incubated for 2 hrs...				Bioorg Med Chem Lett 24: 5450-4 (2015) Article DOI: 10.1016/j.bmcl.2014.10.022 BindingDB Entry DOI: 10.7270/Q2B859QH
					More data for this Ligand-Target Pair