BDBM50209788 CHEMBL3884506

SMILES: COc1ccc2n(Cc3ccc(cc3)-c3cn(CCCCCCC(=O)NO)nn3)c(C)c(CC(O)=O)c2c1

InChI Key: InChIKey=XKWIJYQQFHISGK-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50209788   

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 2 (Homo sapiens (Human))	BDBM50209788 (CHEMBL3884506) Show SMILES COc1ccc2n(Cc3ccc(cc3)-c3cn(CCCCCCC(=O)NO)nn3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C28H33N5O5/c1-19-23(16-28(35)36)24-15-22(38-2)12-13-26(24)33(19)17-20-8-10-21(11-9-20)25-18-32(31-29-25)14-6-4-3-5-7-27(34)30-37/h8-13,15,18,37H,3-7,14,16-17H2,1-2H3,(H,30,34)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	302	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) after 24 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50209788 (CHEMBL3884506) Show SMILES COc1ccc2n(Cc3ccc(cc3)-c3cn(CCCCCCC(=O)NO)nn3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C28H33N5O5/c1-19-23(16-28(35)36)24-15-22(38-2)12-13-26(24)33(19)17-20-8-10-21(11-9-20)25-18-32(31-29-25)14-6-4-3-5-7-27(34)30-37/h8-13,15,18,37H,3-7,14,16-17H2,1-2H3,(H,30,34)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin) after 2.5 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50209788 (CHEMBL3884506) Show SMILES COc1ccc2n(Cc3ccc(cc3)-c3cn(CCCCCCC(=O)NO)nn3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C28H33N5O5/c1-19-23(16-28(35)36)24-15-22(38-2)12-13-26(24)33(19)17-20-8-10-21(11-9-20)25-18-32(31-29-25)14-6-4-3-5-7-27(34)30-37/h8-13,15,18,37H,3-7,14,16-17H2,1-2H3,(H,30,34)(H,35,36)	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	111	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) after 24 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50209788 (CHEMBL3884506) Show SMILES COc1ccc2n(Cc3ccc(cc3)-c3cn(CCCCCCC(=O)NO)nn3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C28H33N5O5/c1-19-23(16-28(35)36)24-15-22(38-2)12-13-26(24)33(19)17-20-8-10-21(11-9-20)25-18-32(31-29-25)14-6-4-3-5-7-27(34)30-37/h8-13,15,18,37H,3-7,14,16-17H2,1-2H3,(H,30,34)(H,35,36)	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	22	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) after 20 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50209788 (CHEMBL3884506) Show SMILES COc1ccc2n(Cc3ccc(cc3)-c3cn(CCCCCCC(=O)NO)nn3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C28H33N5O5/c1-19-23(16-28(35)36)24-15-22(38-2)12-13-26(24)33(19)17-20-8-10-21(11-9-20)25-18-32(31-29-25)14-6-4-3-5-7-27(34)30-37/h8-13,15,18,37H,3-7,14,16-17H2,1-2H3,(H,30,34)(H,35,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) after 5 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair