BDBM119695 US8685992, 14

SMILES: ONC(=O)c1ccc(CNC(=O)c2[nH]c(cc2-c2ccsc2)-c2ccc(O)cc2)cc1

InChI Key: InChIKey=BUXPYIKGVMPYJG-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 = 119695   

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))	BDBM119695 (US8685992, 14) Show SMILES ONC(=O)c1ccc(CNC(=O)c2[nH]c(cc2-c2ccsc2)-c2ccc(O)cc2)cc1 Show InChI InChI=1S/C28H27N3O3S/c1-34-23-13-11-20(12-14-23)24-17-25(21-5-3-2-4-6-21)31-26(24)28(33)30-18-19-7-9-22(10-8-19)27(32)29-15-16-35/h2-14,17,31,35H,15-16,18H2,1H3,(H,29,32)(H,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	84.2	n/a	n/a	n/a	n/a	n/a	30
Universidad del País Vasco; Ikerschem, S.L. US Patent					Assay Description The reactions were carried out in a 96-well microplate for fluorometry in a 50 μl reaction volume. After the deacetylation reaction, Fluor-de-Ly...				US Patent US8685992 (2014) BindingDB Entry DOI: 10.7270/Q2CJ8C4X
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM119695 (US8685992, 14) Show SMILES ONC(=O)c1ccc(CNC(=O)c2[nH]c(cc2-c2ccsc2)-c2ccc(O)cc2)cc1 Show InChI InChI=1S/C28H27N3O3S/c1-34-23-13-11-20(12-14-23)24-17-25(21-5-3-2-4-6-21)31-26(24)28(33)30-18-19-7-9-22(10-8-19)27(32)29-15-16-35/h2-14,17,31,35H,15-16,18H2,1H3,(H,29,32)(H,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	318	n/a	n/a	n/a	n/a	n/a	30
Universidad del País Vasco; Ikerschem, S.L. US Patent					Assay Description The reactions were carried out in a 96-well microplate for fluorometry in a 50 μl reaction volume. After the deacetylation reaction, Fluor-de-Ly...				US Patent US8685992 (2014) BindingDB Entry DOI: 10.7270/Q2CJ8C4X
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM119695 (US8685992, 14) Show SMILES ONC(=O)c1ccc(CNC(=O)c2[nH]c(cc2-c2ccsc2)-c2ccc(O)cc2)cc1 Show InChI InChI=1S/C28H27N3O3S/c1-34-23-13-11-20(12-14-23)24-17-25(21-5-3-2-4-6-21)31-26(24)28(33)30-18-19-7-9-22(10-8-19)27(32)29-15-16-35/h2-14,17,31,35H,15-16,18H2,1H3,(H,29,32)(H,30,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	124	n/a	n/a	n/a	n/a	n/a	30
Universidad del País Vasco; Ikerschem, S.L. US Patent					Assay Description The reactions were carried out in a 96-well microplate for fluorometry in a 50 μl reaction volume. After the deacetylation reaction, Fluor-de-Ly...				US Patent US8685992 (2014) BindingDB Entry DOI: 10.7270/Q2CJ8C4X
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM119695 (US8685992, 14) Show SMILES ONC(=O)c1ccc(CNC(=O)c2[nH]c(cc2-c2ccsc2)-c2ccc(O)cc2)cc1 Show InChI InChI=1S/C28H27N3O3S/c1-34-23-13-11-20(12-14-23)24-17-25(21-5-3-2-4-6-21)31-26(24)28(33)30-18-19-7-9-22(10-8-19)27(32)29-15-16-35/h2-14,17,31,35H,15-16,18H2,1H3,(H,29,32)(H,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	956	n/a	n/a	n/a	n/a	n/a	30
Universidad del País Vasco; Ikerschem, S.L. US Patent					Assay Description The reactions were carried out in a 96-well microplate for fluorometry in a 50 μl reaction volume. After the deacetylation reaction, Fluor-de-Ly...				US Patent US8685992 (2014) BindingDB Entry DOI: 10.7270/Q2CJ8C4X
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM119695 (US8685992, 14) Show SMILES ONC(=O)c1ccc(CNC(=O)c2[nH]c(cc2-c2ccsc2)-c2ccc(O)cc2)cc1 Show InChI InChI=1S/C28H27N3O3S/c1-34-23-13-11-20(12-14-23)24-17-25(21-5-3-2-4-6-21)31-26(24)28(33)30-18-19-7-9-22(10-8-19)27(32)29-15-16-35/h2-14,17,31,35H,15-16,18H2,1H3,(H,29,32)(H,30,33)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	172	n/a	n/a	n/a	n/a	n/a	30
Universidad del País Vasco; Ikerschem, S.L. US Patent					Assay Description The reactions were carried out in a 96-well microplate for fluorometry in a 50 μl reaction volume. After the deacetylation reaction, Fluor-de-Ly...				US Patent US8685992 (2014) BindingDB Entry DOI: 10.7270/Q2CJ8C4X
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM119695 (US8685992, 14) Show SMILES ONC(=O)c1ccc(CNC(=O)c2[nH]c(cc2-c2ccsc2)-c2ccc(O)cc2)cc1 Show InChI InChI=1S/C28H27N3O3S/c1-34-23-13-11-20(12-14-23)24-17-25(21-5-3-2-4-6-21)31-26(24)28(33)30-18-19-7-9-22(10-8-19)27(32)29-15-16-35/h2-14,17,31,35H,15-16,18H2,1H3,(H,29,32)(H,30,33)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	319	n/a	n/a	n/a	n/a	n/a	30
Universidad del País Vasco; Ikerschem, S.L. US Patent					Assay Description The reactions were carried out in a 96-well microplate for fluorometry in a 50 μl reaction volume. After the deacetylation reaction, Fluor-de-Ly...				US Patent US8685992 (2014) BindingDB Entry DOI: 10.7270/Q2CJ8C4X
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM119695 (US8685992, 14) Show SMILES ONC(=O)c1ccc(CNC(=O)c2[nH]c(cc2-c2ccsc2)-c2ccc(O)cc2)cc1 Show InChI InChI=1S/C28H27N3O3S/c1-34-23-13-11-20(12-14-23)24-17-25(21-5-3-2-4-6-21)31-26(24)28(33)30-18-19-7-9-22(10-8-19)27(32)29-15-16-35/h2-14,17,31,35H,15-16,18H2,1H3,(H,29,32)(H,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	692	n/a	n/a	n/a	n/a	n/a	30
Universidad del País Vasco; Ikerschem, S.L. US Patent					Assay Description The reactions were carried out in a 96-well microplate for fluorometry in a 50 μl reaction volume. After the deacetylation reaction, Fluor-de-Ly...				US Patent US8685992 (2014) BindingDB Entry DOI: 10.7270/Q2CJ8C4X
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM119695 (US8685992, 14) Show SMILES ONC(=O)c1ccc(CNC(=O)c2[nH]c(cc2-c2ccsc2)-c2ccc(O)cc2)cc1 Show InChI InChI=1S/C28H27N3O3S/c1-34-23-13-11-20(12-14-23)24-17-25(21-5-3-2-4-6-21)31-26(24)28(33)30-18-19-7-9-22(10-8-19)27(32)29-15-16-35/h2-14,17,31,35H,15-16,18H2,1H3,(H,29,32)(H,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	64.1	n/a	n/a	n/a	n/a	n/a	30
Universidad del País Vasco; Ikerschem, S.L. US Patent					Assay Description The reactions were carried out in a 96-well microplate for fluorometry in a 50 μl reaction volume. After the deacetylation reaction, Fluor-de-Ly...				US Patent US8685992 (2014) BindingDB Entry DOI: 10.7270/Q2CJ8C4X
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM119695 (US8685992, 14) Show SMILES ONC(=O)c1ccc(CNC(=O)c2[nH]c(cc2-c2ccsc2)-c2ccc(O)cc2)cc1 Show InChI InChI=1S/C28H27N3O3S/c1-34-23-13-11-20(12-14-23)24-17-25(21-5-3-2-4-6-21)31-26(24)28(33)30-18-19-7-9-22(10-8-19)27(32)29-15-16-35/h2-14,17,31,35H,15-16,18H2,1H3,(H,29,32)(H,30,33)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	277	n/a	n/a	n/a	n/a	n/a	30
Universidad del País Vasco; Ikerschem, S.L. US Patent					Assay Description The reactions were carried out in a 96-well microplate for fluorometry in a 50 μl reaction volume. After the deacetylation reaction, Fluor-de-Ly...				US Patent US8685992 (2014) BindingDB Entry DOI: 10.7270/Q2CJ8C4X
					More data for this Ligand-Target Pair
Histone deacetylase 10 (Homo sapiens (Human))	BDBM119695 (US8685992, 14) Show SMILES ONC(=O)c1ccc(CNC(=O)c2[nH]c(cc2-c2ccsc2)-c2ccc(O)cc2)cc1 Show InChI InChI=1S/C28H27N3O3S/c1-34-23-13-11-20(12-14-23)24-17-25(21-5-3-2-4-6-21)31-26(24)28(33)30-18-19-7-9-22(10-8-19)27(32)29-15-16-35/h2-14,17,31,35H,15-16,18H2,1H3,(H,29,32)(H,30,33)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	30
Universidad del País Vasco; Ikerschem, S.L. US Patent					Assay Description The reactions were carried out in a 96-well microplate for fluorometry in a 50 μl reaction volume. After the deacetylation reaction, Fluor-de-Ly...				US Patent US8685992 (2014) BindingDB Entry DOI: 10.7270/Q2CJ8C4X
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM119695 (US8685992, 14) Show SMILES ONC(=O)c1ccc(CNC(=O)c2[nH]c(cc2-c2ccsc2)-c2ccc(O)cc2)cc1 Show InChI InChI=1S/C28H27N3O3S/c1-34-23-13-11-20(12-14-23)24-17-25(21-5-3-2-4-6-21)31-26(24)28(33)30-18-19-7-9-22(10-8-19)27(32)29-15-16-35/h2-14,17,31,35H,15-16,18H2,1H3,(H,29,32)(H,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	30
Universidad del País Vasco; Ikerschem, S.L. US Patent					Assay Description The reactions were carried out in a 96-well microplate for fluorometry in a 50 μl reaction volume. After the deacetylation reaction, Fluor-de-Ly...				US Patent US8685992 (2014) BindingDB Entry DOI: 10.7270/Q2CJ8C4X
					More data for this Ligand-Target Pair