BDBM50241901 CHEMBL4065026

SMILES: Cn1ccc2c(CCNS(=O)(=O)c3ccc(\C=C\C(=O)NO)cc3)cccc12

InChI Key: InChIKey=BESZEUWJRGYGSJ-JXMROGBWSA-N

Data: 5 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 5 hits for monomerid = 50241901   

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 4 (Homo sapiens (Human))	BDBM50241901 (CHEMBL4065026) Show SMILES Cn1ccc2c(CCNS(=O)(=O)c3ccc(\C=C\C(=O)NO)cc3)cccc12 Show InChI InChI=1S/C20H21N3O4S/c1-23-14-12-18-16(3-2-4-19(18)23)11-13-21-28(26,27)17-8-5-15(6-9-17)7-10-20(24)22-25/h2-10,12,14,21,25H,11,13H2,1H3,(H,22,24)/b10-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University (TMU) Curated by ChEMBL					Assay Description Inhibition of recombinant human full length HDAC4 using Fluor-de-Lys as substrate after 60 mins by spectrofluorimetric analysis				Eur J Med Chem 134: 13-23 (2017) Article DOI: 10.1016/j.ejmech.2017.03.079 BindingDB Entry DOI: 10.7270/Q2154K5F
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50241901 (CHEMBL4065026) Show SMILES Cn1ccc2c(CCNS(=O)(=O)c3ccc(\C=C\C(=O)NO)cc3)cccc12 Show InChI InChI=1S/C20H21N3O4S/c1-23-14-12-18-16(3-2-4-19(18)23)11-13-21-28(26,27)17-8-5-15(6-9-17)7-10-20(24)22-25/h2-10,12,14,21,25H,11,13H2,1H3,(H,22,24)/b10-7+	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	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University (TMU) Curated by ChEMBL					Assay Description Inhibition of recombinant human full length HDAC6 using Fluor-de-Lys as substrate after 60 mins by spectrofluorimetric analysis				Eur J Med Chem 134: 13-23 (2017) Article DOI: 10.1016/j.ejmech.2017.03.079 BindingDB Entry DOI: 10.7270/Q2154K5F
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50241901 (CHEMBL4065026) Show SMILES Cn1ccc2c(CCNS(=O)(=O)c3ccc(\C=C\C(=O)NO)cc3)cccc12 Show InChI InChI=1S/C20H21N3O4S/c1-23-14-12-18-16(3-2-4-19(18)23)11-13-21-28(26,27)17-8-5-15(6-9-17)7-10-20(24)22-25/h2-10,12,14,21,25H,11,13H2,1H3,(H,22,24)/b10-7+	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	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University (TMU) Curated by ChEMBL					Assay Description Inhibition of recombinant human full length HDAC2 using Fluor-de-Lys as substrate after 60 mins by spectrofluorimetric analysis				Eur J Med Chem 134: 13-23 (2017) Article DOI: 10.1016/j.ejmech.2017.03.079 BindingDB Entry DOI: 10.7270/Q2154K5F
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50241901 (CHEMBL4065026) Show SMILES Cn1ccc2c(CCNS(=O)(=O)c3ccc(\C=C\C(=O)NO)cc3)cccc12 Show InChI InChI=1S/C20H21N3O4S/c1-23-14-12-18-16(3-2-4-19(18)23)11-13-21-28(26,27)17-8-5-15(6-9-17)7-10-20(24)22-25/h2-10,12,14,21,25H,11,13H2,1H3,(H,22,24)/b10-7+	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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University (TMU) Curated by ChEMBL					Assay Description Inhibition of recombinant human full length HDAC1 using Fluor-de-Lys as substrate after 60 mins by spectrofluorimetric analysis				Eur J Med Chem 134: 13-23 (2017) Article DOI: 10.1016/j.ejmech.2017.03.079 BindingDB Entry DOI: 10.7270/Q2154K5F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50241901 (CHEMBL4065026) Show SMILES Cn1ccc2c(CCNS(=O)(=O)c3ccc(\C=C\C(=O)NO)cc3)cccc12 Show InChI InChI=1S/C20H21N3O4S/c1-23-14-12-18-16(3-2-4-19(18)23)11-13-21-28(26,27)17-8-5-15(6-9-17)7-10-20(24)22-25/h2-10,12,14,21,25H,11,13H2,1H3,(H,22,24)/b10-7+	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	>100	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University (TMU) Curated by ChEMBL					Assay Description Inhibition of recombinant human full length HDAC8 using Fluor-de-Lys as substrate after 60 mins by spectrofluorimetric analysis				Eur J Med Chem 134: 13-23 (2017) Article DOI: 10.1016/j.ejmech.2017.03.079 BindingDB Entry DOI: 10.7270/Q2154K5F
					More data for this Ligand-Target Pair