BindingDB PrimarySearch

BDBM50320738 CHEMBL1164212::N-((R)-5-((1R,3aS,7aR,E)-4-(2-((3R,5R)-3,5-Dihydroxycyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)hexyl)-2-mercaptoacetamide

SMILES: [#6]-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#16])-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1

InChI Key: InChIKey=OABZPOSBWXFOFX-AABZZBOGSA-N

Data: 4 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50320738
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
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50320738 (CHEMBL1164212 \| N-((R)-5-((1R,3aS,7aR,E)-4-(2-((3R...) 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	Article PubMed	n/a	n/a	9.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of HDAC2 after 10 mins by fluorometric assay				Bioorg Med Chem 18: 4119-37 (2010) Article DOI: 10.1016/j.bmc.2010.03.078 BindingDB Entry DOI: 10.7270/Q2154J17
McGill University Curated by ChEMBL					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50320738 (CHEMBL1164212 \| N-((R)-5-((1R,3aS,7aR,E)-4-(2-((3R...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Binding affinity to VDR ligand binding domain by fluorescence polarization competition assay				Bioorg Med Chem 18: 4119-37 (2010) Article DOI: 10.1016/j.bmc.2010.03.078 BindingDB Entry DOI: 10.7270/Q2154J17
McGill University Curated by ChEMBL					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50320738 (CHEMBL1164212 \| N-((R)-5-((1R,3aS,7aR,E)-4-(2-((3R...) 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	Article PubMed	n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of HDAC6 after 10 mins by fluorometric assay				Bioorg Med Chem 18: 4119-37 (2010) Article DOI: 10.1016/j.bmc.2010.03.078 BindingDB Entry DOI: 10.7270/Q2154J17
McGill University Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50320738 (CHEMBL1164212 \| N-((R)-5-((1R,3aS,7aR,E)-4-(2-((3R...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of HDAC3 after 10 mins by fluorometric assay				Bioorg Med Chem 18: 4119-37 (2010) Article DOI: 10.1016/j.bmc.2010.03.078 BindingDB Entry DOI: 10.7270/Q2154J17
McGill University Curated by ChEMBL					More data for this Ligand-Target Pair