BindingDB PrimarySearch

BDBM50320737 (R)-N-(2-Aminophenyl)-6-((1R,3aS,7aR,E)-4-(2-((3R,5R)-3,5-dihydroxycyclohexylidene)ethylidene)-7a-methyl-octahydro-1H-inden-1-yl)heptanamide::CHEMBL1165293

SMILES: [#6]-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-c1ccccc1-[#7])-[#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=CZSCYVHOZGHUJC-RKERBXOMSA-N

Data: 6 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50320737
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
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50320737 ((R)-N-(2-Aminophenyl)-6-((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 Similars	Article PubMed	n/a	n/a	248	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Binding affinity to VDR-LBD by fluorescence polarization competition assay				J Med Chem 53: 7461-5 (2010) Article DOI: 10.1021/jm1007159 BindingDB Entry DOI: 10.7270/Q2V9889V
McGill University Curated by ChEMBL					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50320737 ((R)-N-(2-Aminophenyl)-6-((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 Similars	Article PubMed	n/a	n/a	8.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 by fluorescence assay				J Med Chem 53: 7461-5 (2010) Article DOI: 10.1021/jm1007159 BindingDB Entry DOI: 10.7270/Q2V9889V
McGill University Curated by ChEMBL					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50320737 ((R)-N-(2-Aminophenyl)-6-((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 Similars	Article PubMed	n/a	n/a	185	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
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50320737 ((R)-N-(2-Aminophenyl)-6-((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 Similars	Article PubMed	n/a	n/a	1.04E+5	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
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50320737 ((R)-N-(2-Aminophenyl)-6-((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 Similars	Article PubMed	n/a	n/a	8.11E+4	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 2 (Homo sapiens (Human))	BDBM50320737 ((R)-N-(2-Aminophenyl)-6-((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 Similars	Article PubMed	n/a	n/a	1.89E+5	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