BDBM50320748 CHEMBL1164243::N-((R)-5-((1R,3aS,7aR,E)-4-(2-((3R,5R)-3,5-Dihydroxycycloheptylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)hexyl)methanesulfamide

SMILES: [#6]-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]S([#7])(=O)=O)-[#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=LOCGBKCIQGOTKO-YLPIWGMZSA-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 = 50320748   

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))	BDBM50320748 (CHEMBL1164243 | N-((R)-5-((1R,3aS,7aR,E)-4-(2-((3R...) Show SMILES [#6]-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]S([#7])(=O)=O)-[#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/C25H44N2O4S/c1-18(7-4-3-5-14-27-32(26,30)31)23-11-12-24-20(8-6-13-25(23,24)2)10-9-19-15-21(28)17-22(29)16-19/h9-10,18,21-24,27-29H,3-8,11-17H2,1-2H3,(H2,26,30,31)/b20-10+/t18-,21-,22-,23-,24+,25-/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	6.05E+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))	BDBM50320748 (CHEMBL1164243 | N-((R)-5-((1R,3aS,7aR,E)-4-(2-((3R...) Show SMILES [#6]-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]S([#7])(=O)=O)-[#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/C25H44N2O4S/c1-18(7-4-3-5-14-27-32(26,30)31)23-11-12-24-20(8-6-13-25(23,24)2)10-9-19-15-21(28)17-22(29)16-19/h9-10,18,21-24,27-29H,3-8,11-17H2,1-2H3,(H2,26,30,31)/b20-10+/t18-,21-,22-,23-,24+,25-/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	196	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))	BDBM50320748 (CHEMBL1164243 | N-((R)-5-((1R,3aS,7aR,E)-4-(2-((3R...) Show SMILES [#6]-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]S([#7])(=O)=O)-[#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/C25H44N2O4S/c1-18(7-4-3-5-14-27-32(26,30)31)23-11-12-24-20(8-6-13-25(23,24)2)10-9-19-15-21(28)17-22(29)16-19/h9-10,18,21-24,27-29H,3-8,11-17H2,1-2H3,(H2,26,30,31)/b20-10+/t18-,21-,22-,23-,24+,25-/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	3.16E+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
					More data for this Ligand-Target Pair