BDBM50363597 CHEMBL1823787

SMILES: C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)Cc1cccc(c1)C(F)(F)F

InChI Key: InChIKey=JRSQYSLSGRZKNR-WJGLBBAVSA-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 = 50363597   

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))	BDBM50363597 (CHEMBL1823787) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)Cc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H29F3O2/c1-24-11-9-21-20-8-6-19(30)14-17(20)5-7-22(21)23(24)10-12-25(24,31)15-16-3-2-4-18(13-16)26(27,28)29/h2-4,6,8,13-14,21-23,30-31H,5,7,9-12,15H2,1H3/t21-,22-,23+,24+,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase using 4-methylumbelliferyl sulfate as substrate after 10 mins by spectrofluorimeter plate reader				Bioorg Med Chem 20: 1535-44 (2012) Article DOI: 10.1016/j.bmc.2011.12.036 BindingDB Entry DOI: 10.7270/Q2CJ8DZ3
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50363597 (CHEMBL1823787) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)Cc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H29F3O2/c1-24-11-9-21-20-8-6-19(30)14-17(20)5-7-22(21)23(24)10-12-25(24,31)15-16-3-2-4-18(13-16)26(27,28)29/h2-4,6,8,13-14,21-23,30-31H,5,7,9-12,15H2,1H3/t21-,22-,23+,24+,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of STS isolated from human JEG-3 cell homogenates using [3H]-E1S as substrate				Bioorg Med Chem 23: 5681-92 (2015) BindingDB Entry DOI: 10.7270/Q2R78H03
					More data for this Ligand-Target Pair