BDBM50048860 CHEMBL3310508

SMILES: [H][C@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]1([H])CCCCCSSCCCCC[C@]([H])(NC2=O)C(=O)N1

InChI Key: InChIKey=ZQICYEMFUJEREY-NAVOZUGXSA-N

Data: 6 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 6 hits for monomerid = 50048860   

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))	BDBM50048860 (CHEMBL3310508) Show SMILES [H][C@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]1([H])CCCCCSSCCCCC[C@]([H])(NC2=O)C(=O)N1 |r| Show InChI InChI=1S/C28H40N4O4S2/c33-25-22-14-7-3-9-18-38-37-17-8-2-6-13-21(29-25)26(34)31-23(19-20-11-4-1-5-12-20)28(36)32-16-10-15-24(32)27(35)30-22/h1,4-5,11-12,21-24H,2-3,6-10,13-19H2,(H,29,33)(H,30,35)(H,31,34)/t21-,22+,23+,24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader				Bioorg Med Chem 22: 3850-5 (2014) Article DOI: 10.1016/j.bmc.2014.06.029 BindingDB Entry DOI: 10.7270/Q23F4R9P
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50048860 (CHEMBL3310508) Show SMILES [H][C@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]1([H])CCCCCSSCCCCC[C@]([H])(NC2=O)C(=O)N1 |r| Show InChI InChI=1S/C28H40N4O4S2/c33-25-22-14-7-3-9-18-38-37-17-8-2-6-13-21(29-25)26(34)31-23(19-20-11-4-1-5-12-20)28(36)32-16-10-15-24(32)27(35)30-22/h1,4-5,11-12,21-24H,2-3,6-10,13-19H2,(H,29,33)(H,30,35)(H,31,34)/t21-,22+,23+,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC4 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader				Bioorg Med Chem 22: 3850-5 (2014) Article DOI: 10.1016/j.bmc.2014.06.029 BindingDB Entry DOI: 10.7270/Q23F4R9P
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Mus musculus)	BDBM50048860 (CHEMBL3310508) Show SMILES [H][C@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]1([H])CCCCCSSCCCCC[C@]([H])(NC2=O)C(=O)N1 |r| Show InChI InChI=1S/C28H40N4O4S2/c33-25-22-14-7-3-9-18-38-37-17-8-2-6-13-21(29-25)26(34)31-23(19-20-11-4-1-5-12-20)28(36)32-16-10-15-24(32)27(35)30-22/h1,4-5,11-12,21-24H,2-3,6-10,13-19H2,(H,29,33)(H,30,35)(H,31,34)/t21-,22+,23+,24-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of mouse HDAC6 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader in presence of 0.1 mM dithiothreito...				Bioorg Med Chem 22: 3850-5 (2014) Article DOI: 10.1016/j.bmc.2014.06.029 BindingDB Entry DOI: 10.7270/Q23F4R9P
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50048860 (CHEMBL3310508) Show SMILES [H][C@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]1([H])CCCCCSSCCCCC[C@]([H])(NC2=O)C(=O)N1 |r| Show InChI InChI=1S/C28H40N4O4S2/c33-25-22-14-7-3-9-18-38-37-17-8-2-6-13-21(29-25)26(34)31-23(19-20-11-4-1-5-12-20)28(36)32-16-10-15-24(32)27(35)30-22/h1,4-5,11-12,21-24H,2-3,6-10,13-19H2,(H,29,33)(H,30,35)(H,31,34)/t21-,22+,23+,24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader in presence of 0.1 mM dithiothreito...				Bioorg Med Chem 22: 3850-5 (2014) Article DOI: 10.1016/j.bmc.2014.06.029 BindingDB Entry DOI: 10.7270/Q23F4R9P
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50048860 (CHEMBL3310508) Show SMILES [H][C@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]1([H])CCCCCSSCCCCC[C@]([H])(NC2=O)C(=O)N1 |r| Show InChI InChI=1S/C28H40N4O4S2/c33-25-22-14-7-3-9-18-38-37-17-8-2-6-13-21(29-25)26(34)31-23(19-20-11-4-1-5-12-20)28(36)32-16-10-15-24(32)27(35)30-22/h1,4-5,11-12,21-24H,2-3,6-10,13-19H2,(H,29,33)(H,30,35)(H,31,34)/t21-,22+,23+,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC4 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader in presence of 0.1 mM dithiothreito...				Bioorg Med Chem 22: 3850-5 (2014) Article DOI: 10.1016/j.bmc.2014.06.029 BindingDB Entry DOI: 10.7270/Q23F4R9P
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Mus musculus)	BDBM50048860 (CHEMBL3310508) Show SMILES [H][C@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]1([H])CCCCCSSCCCCC[C@]([H])(NC2=O)C(=O)N1 |r| Show InChI InChI=1S/C28H40N4O4S2/c33-25-22-14-7-3-9-18-38-37-17-8-2-6-13-21(29-25)26(34)31-23(19-20-11-4-1-5-12-20)28(36)32-16-10-15-24(32)27(35)30-22/h1,4-5,11-12,21-24H,2-3,6-10,13-19H2,(H,29,33)(H,30,35)(H,31,34)/t21-,22+,23+,24-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of mouse HDAC6 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader				Bioorg Med Chem 22: 3850-5 (2014) Article DOI: 10.1016/j.bmc.2014.06.029 BindingDB Entry DOI: 10.7270/Q23F4R9P
					More data for this Ligand-Target Pair