BDBM50386456 CHEMBL2047539

SMILES: COc1ccc(CC(N=O)C(=O)NCCSSCCNC(=O)C(Cc2ccc(OC)c(Br)c2)N=O)cc1Br

InChI Key: InChIKey=SJNVCDUNZIISJG-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50386456   

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))	BDBM50386456 (CHEMBL2047539) Show SMILES COc1ccc(CC(N=O)C(=O)NCCSSCCNC(=O)C(Cc2ccc(OC)c(Br)c2)N=O)cc1Br Show InChI InChI=1S/C24H28Br2N4O6S2/c1-35-21-5-3-15(11-17(21)25)13-19(29-33)23(31)27-7-9-37-38-10-8-28-24(32)20(30-34)14-16-4-6-22(36-2)18(26)12-16/h3-6,11-12,19-20H,7-10,13-14H2,1-2H3,(H,27,31)(H,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50386456 (CHEMBL2047539) Show SMILES COc1ccc(CC(N=O)C(=O)NCCSSCCNC(=O)C(Cc2ccc(OC)c(Br)c2)N=O)cc1Br Show InChI InChI=1S/C24H28Br2N4O6S2/c1-35-21-5-3-15(11-17(21)25)13-19(29-33)23(31)27-7-9-37-38-10-8-28-24(32)20(30-34)14-16-4-6-22(36-2)18(26)12-16/h3-6,11-12,19-20H,7-10,13-14H2,1-2H3,(H,27,31)(H,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair