BDBM50316410 CHEMBL1094577::gymnochrome E

SMILES: CCC[C@@H](O)Cc1c(Br)c(O)c2c3c1c1c(C[C@H](C)O)c(Br)c(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O

InChI Key: InChIKey=FQXGDTNOEQJUMM-VHSXEESVSA-N

Data: 1 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 1 hit for monomerid = 50316410   

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))	BDBM50316410 (CHEMBL1094577 | gymnochrome E) Show SMILES CCC[C@@H](O)Cc1c(Br)c(O)c2c3c1c1c(C[C@H](C)O)c(Br)c(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O |r| Show InChI InChI=1S/C36H26Br2O10/c1-3-4-10(40)6-12-18-17-11(5-9(2)39)31(37)35(47)29-23(17)27-25-19(13(41)7-15(43)21(25)33(29)45)20-14(42)8-16(44)22-26(20)28(27)24(18)30(34(22)46)36(48)32(12)38/h7-10,39-44,47-48H,3-6H2,1-2H3/t9-,10+/m0/s1	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	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harbor Branch Oceanographic Institute at Florida Atlantic University Curated by ChEMBL					Assay Description Inhibition of human HDAC1 assessed as [3H]acetate release after 90 mins by scintillation counting				J Nat Prod 73: 712-5 (2010) Article DOI: 10.1021/np900526y BindingDB Entry DOI: 10.7270/Q2VQ32TB
					More data for this Ligand-Target Pair