BDBM50223506 (5S,11S,13aR)-5-butyl-8,8-dimethyl-11-[5-(pyridin-2-yldisulfanyl)-pentyl]-decahydro-3a,6,9,12-tetraaza-cyclopentacyclododecene-4,7,10,13-tetraone::CHEMBL401837

SMILES: CCCC[C@@H]1NC(=O)C(C)(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C1=O

InChI Key: InChIKey=QQWGTLPTAWCCOA-PCCBWWKXSA-N

Data: 3 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 3 hits for monomerid = 50223506   

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))	BDBM50223506 ((5S,11S,13aR)-5-butyl-8,8-dimethyl-11-[5-(pyridin-...) Show SMILES CCCC[C@@H]1NC(=O)C(C)(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C1=O Show InChI InChI=1S/C27H41N5O4S2/c1-4-5-12-20-25(35)32-17-11-14-21(32)24(34)29-19(23(33)31-27(2,3)26(36)30-20)13-7-6-10-18-37-38-22-15-8-9-16-28-22/h8-9,15-16,19-21H,4-7,10-14,17-18H2,1-3H3,(H,29,34)(H,30,36)(H,31,33)/t19-,20-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Life Science and Systems Engineering Curated by ChEMBL					Assay Description Inhibition of HDAC4 expressed in 293T cells				Bioorg Med Chem 16: 437-45 (2008) Article DOI: 10.1016/j.bmc.2007.09.021 BindingDB Entry DOI: 10.7270/Q2RJ4J77
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50223506 ((5S,11S,13aR)-5-butyl-8,8-dimethyl-11-[5-(pyridin-...) Show SMILES CCCC[C@@H]1NC(=O)C(C)(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C1=O Show InChI InChI=1S/C27H41N5O4S2/c1-4-5-12-20-25(35)32-17-11-14-21(32)24(34)29-19(23(33)31-27(2,3)26(36)30-20)13-7-6-10-18-37-38-22-15-8-9-16-28-22/h8-9,15-16,19-21H,4-7,10-14,17-18H2,1-3H3,(H,29,34)(H,30,36)(H,31,33)/t19-,20-,21+/m0/s1	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	38	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Life Science and Systems Engineering Curated by ChEMBL					Assay Description Inhibition of HDAC1 expressed in 293T cells				Bioorg Med Chem 16: 437-45 (2008) Article DOI: 10.1016/j.bmc.2007.09.021 BindingDB Entry DOI: 10.7270/Q2RJ4J77
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50223506 ((5S,11S,13aR)-5-butyl-8,8-dimethyl-11-[5-(pyridin-...) Show SMILES CCCC[C@@H]1NC(=O)C(C)(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C1=O Show InChI InChI=1S/C27H41N5O4S2/c1-4-5-12-20-25(35)32-17-11-14-21(32)24(34)29-19(23(33)31-27(2,3)26(36)30-20)13-7-6-10-18-37-38-22-15-8-9-16-28-22/h8-9,15-16,19-21H,4-7,10-14,17-18H2,1-3H3,(H,29,34)(H,30,36)(H,31,33)/t19-,20-,21+/m0/s1	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	280	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Life Science and Systems Engineering Curated by ChEMBL					Assay Description Inhibition of HDAC6 expressed in 293T cells				Bioorg Med Chem 16: 437-45 (2008) Article DOI: 10.1016/j.bmc.2007.09.021 BindingDB Entry DOI: 10.7270/Q2RJ4J77
					More data for this Ligand-Target Pair