BindingDB PrimarySearch

BDBM50209796 CHEMBL3885011

SMILES: COC(=O)Cc1c(C)n(Cc2ccc(cc2)-c2cn(CCCCCCCC(=O)NO)nn2)c2ccc(OC)cc12

InChI Key: InChIKey=ADORMHQFWRYXJP-UHFFFAOYSA-N

Data: 7 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50209796
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50209796 (CHEMBL3885011) Show SMILES Show InChI	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	5	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
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50209796 (CHEMBL3885011) Show SMILES Show InChI	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	209	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
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2 (Homo sapiens (Human))	BDBM50209796 (CHEMBL3885011) Show SMILES Show InChI	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	4.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human COX2 using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition for 2 mins by Cayman...				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50209796 (CHEMBL3885011) Show SMILES Show InChI	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	251	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
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50209796 (CHEMBL3885011) Show SMILES Show InChI	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	394	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
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50209796 (CHEMBL3885011) Show SMILES Show InChI	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	181	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
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50209796 (CHEMBL3885011) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of sheep COX1 using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition for 2 mins by Cayman based fluor...				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair