BDBM50380209 CHEMBL2011409

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

InChI Key: InChIKey=ZLJGIFTUSHJRAK-HPNQWNLUSA-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 = 50380209   

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))	BDBM50380209 (CHEMBL2011409) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)c(CC=C)cc34)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C21H27NO4S/c1-3-4-14-11-17-13(12-19(14)26-27(22,24)25)5-6-16-15(17)9-10-21(2)18(16)7-8-20(21)23/h3,11-12,15-16,18H,1,4-10H2,2H3,(H2,22,24,25)/t15-,16+,18-,21-/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	37	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 MCF7 cells using [3H]E1S as substrate after 20 hrs 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))	BDBM50380209 (CHEMBL2011409) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)c(CC=C)cc34)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C21H27NO4S/c1-3-4-14-11-17-13(12-19(14)26-27(22,24)25)5-6-16-15(17)9-10-21(2)18(16)7-8-20(21)23/h3,11-12,15-16,18H,1,4-10H2,2H3,(H2,22,24,25)/t15-,16+,18-,21-/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	2.50E+3	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