BDBM50380223 CHEMBL2011422

SMILES: C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)c(cc34)C(F)F)[C@@H]1CCC2=O

InChI Key: InChIKey=YAYQRYPMSZAIEL-RHQBZFHZSA-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 = 50380223   

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
Steryl-sulfatase (Homo sapiens (Human))	BDBM50380223 (CHEMBL2011422) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)c(cc34)C(F)F)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C19H23F2NO4S/c1-19-7-6-11-12(15(19)4-5-17(19)23)3-2-10-8-16(26-27(22,24)25)14(18(20)21)9-13(10)11/h8-9,11-12,15,18H,2-7H2,1H3,(H2,22,24,25)/t11-,12+,15-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human placental microsomes using [3H]E1S as substrate after 30 mins by scintillation spectrometry				Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50380223 (CHEMBL2011422) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)c(cc34)C(F)F)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C19H23F2NO4S/c1-19-7-6-11-12(15(19)4-5-17(19)23)3-2-10-8-16(26-27(22,24)25)14(18(20)21)9-13(10)11/h8-9,11-12,15,18H,2-7H2,1H3,(H2,22,24,25)/t11-,12+,15-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Punjabi University Curated by ChEMBL					Assay Description Inhibition of placental microsomal estrone sulfatase (unknown origin) using [6,7-3H]E1S as substrate incubated for 1 hr by scintillation spectrometri...				Eur J Med Chem 114: 170-90 (2016) BindingDB Entry DOI: 10.7270/Q26Q2048
					More data for this Ligand-Target Pair