BDBM50129132 CHEMBL3628319

SMILES: CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](C(C)C)C(=O)NCC(=O)O1

InChI Key: InChIKey=XNAZTHURLSEPRP-HXWVIUDNSA-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 = 50129132   

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))	BDBM50129132 (CHEMBL3628319) Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](C(C)C)C(=O)NCC(=O)O1 |r| Show InChI InChI=1S/C30H50N4O7S/c1-7-8-9-10-11-15-25(37)42-16-13-12-14-22-17-23(35)33-27(20(4)5)30(40)32-21(6)28(38)34-26(19(2)3)29(39)31-18-24(36)41-22/h12,14,19-22,26-27H,7-11,13,15-18H2,1-6H3,(H,31,39)(H,32,40)(H,33,35)(H,34,38)/b14-12+/t21-,22-,26-,27-/m1/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	PubMed	n/a	n/a	1.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ronzoni Institute for Chemical and Biochem. Research Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method				Bioorg Med Chem 23: 6785-93 (2015) BindingDB Entry DOI: 10.7270/Q21N82XF
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50129132 (CHEMBL3628319) Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](C(C)C)C(=O)NCC(=O)O1 |r| Show InChI InChI=1S/C30H50N4O7S/c1-7-8-9-10-11-15-25(37)42-16-13-12-14-22-17-23(35)33-27(20(4)5)30(40)32-21(6)28(38)34-26(19(2)3)29(39)31-18-24(36)41-22/h12,14,19-22,26-27H,7-11,13,15-18H2,1-6H3,(H,31,39)(H,32,40)(H,33,35)(H,34,38)/b14-12+/t21-,22-,26-,27-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ronzoni Institute for Chemical and Biochem. Research Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method				Bioorg Med Chem 23: 6785-93 (2015) BindingDB Entry DOI: 10.7270/Q21N82XF
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50129132 (CHEMBL3628319) Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](C(C)C)C(=O)NCC(=O)O1 |r| Show InChI InChI=1S/C30H50N4O7S/c1-7-8-9-10-11-15-25(37)42-16-13-12-14-22-17-23(35)33-27(20(4)5)30(40)32-21(6)28(38)34-26(19(2)3)29(39)31-18-24(36)41-22/h12,14,19-22,26-27H,7-11,13,15-18H2,1-6H3,(H,31,39)(H,32,40)(H,33,35)(H,34,38)/b14-12+/t21-,22-,26-,27-/m1/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	PubMed	n/a	n/a	1.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ronzoni Institute for Chemical and Biochem. Research Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method				Bioorg Med Chem 23: 6785-93 (2015) BindingDB Entry DOI: 10.7270/Q21N82XF
					More data for this Ligand-Target Pair