BDBM50389885 CHEMBL2070843

SMILES: CC(C)CS(=O)(=O)c1oc(nc1S(=O)(=O)c1ccc(F)cc1)-c1cccs1

InChI Key: InChIKey=KJOLHRKKRPLZDN-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50389885   

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
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50389885 (CHEMBL2070843) Show SMILES CC(C)CS(=O)(=O)c1oc(nc1S(=O)(=O)c1ccc(F)cc1)-c1cccs1 Show InChI InChI=1S/C17H16FNO5S3/c1-11(2)10-26(20,21)17-16(19-15(24-17)14-4-3-9-25-14)27(22,23)13-7-5-12(18)6-8-13/h3-9,11H,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Milwaukee Curated by ChEMBL					Assay Description Inhibition of LG190178-induced VDR-LBD interaction to Alexa Fluor 647-labeled SRC2-3 after 3 hrs by fluorescence polarization assay				J Med Chem 55: 4640-51 (2012) Article DOI: 10.1021/jm300460c BindingDB Entry DOI: 10.7270/Q2HD7WRP
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50389885 (CHEMBL2070843) Show SMILES CC(C)CS(=O)(=O)c1oc(nc1S(=O)(=O)c1ccc(F)cc1)-c1cccs1 Show InChI InChI=1S/C17H16FNO5S3/c1-11(2)10-26(20,21)17-16(19-15(24-17)14-4-3-9-25-14)27(22,23)13-7-5-12(18)6-8-13/h3-9,11H,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Milwaukee Curated by ChEMBL					Assay Description Inhibition of VDR-LBD expressed in human HEK293T cells co-expressing GAL4-DBD assessed as inhibition of 1,25-(OH)2D3-induced transcription after 24 h...				J Med Chem 55: 4640-51 (2012) Article DOI: 10.1021/jm300460c BindingDB Entry DOI: 10.7270/Q2HD7WRP
					More data for this Ligand-Target Pair