BDBM50320741 (R)-N-(2-Aminophenyl)-5-((1R,3aS,7aR,E)-4-(2-((3R,5R)-3,5-dihydroxycyclohexylidene)ethylidene)-7a-methyl-octahydro-1H-inden-1-yl)hexanamide::CHEMBL1165292

SMILES: [#6]-[#6@H](-[#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=JCSFMSZINGVISH-WULWUCNBSA-N

Data: 3 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 3 hits for monomerid = 50320741   

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 3 (Homo sapiens (Human))	BDBM50320741 ((R)-N-(2-Aminophenyl)-5-((1R,3aS,7aR,E)-4-(2-((3R,...) Show SMILES [#6]-[#6@H](-[#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 |r| Show InChI InChI=1S/C30H44N2O3/c1-20(7-5-11-29(35)32-28-10-4-3-9-27(28)31)25-14-15-26-22(8-6-16-30(25,26)2)13-12-21-17-23(33)19-24(34)18-21/h3-4,9-10,12-13,20,23-26,33-34H,5-8,11,14-19,31H2,1-2H3,(H,32,35)/b22-13+/t20-,23-,24-,25-,26+,30-/m1/s1	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	4.60E+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
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50320741 ((R)-N-(2-Aminophenyl)-5-((1R,3aS,7aR,E)-4-(2-((3R,...) Show SMILES [#6]-[#6@H](-[#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 |r| Show InChI InChI=1S/C30H44N2O3/c1-20(7-5-11-29(35)32-28-10-4-3-9-27(28)31)25-14-15-26-22(8-6-16-30(25,26)2)13-12-21-17-23(33)19-24(34)18-21/h3-4,9-10,12-13,20,23-26,33-34H,5-8,11,14-19,31H2,1-2H3,(H,32,35)/b22-13+/t20-,23-,24-,25-,26+,30-/m1/s1	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	524	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
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50320741 ((R)-N-(2-Aminophenyl)-5-((1R,3aS,7aR,E)-4-(2-((3R,...) Show SMILES [#6]-[#6@H](-[#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 |r| Show InChI InChI=1S/C30H44N2O3/c1-20(7-5-11-29(35)32-28-10-4-3-9-27(28)31)25-14-15-26-22(8-6-16-30(25,26)2)13-12-21-17-23(33)19-24(34)18-21/h3-4,9-10,12-13,20,23-26,33-34H,5-8,11,14-19,31H2,1-2H3,(H,32,35)/b22-13+/t20-,23-,24-,25-,26+,30-/m1/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	3.30E+5	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
					More data for this Ligand-Target Pair