BDBM50366522 CHEMBL1628091

SMILES: C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)Cc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=INENAPRMWVFCIT-XIKCKBGFSA-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 = 50366522   

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))	BDBM50366522 (CHEMBL1628091) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H28Cl2O2/c1-24-10-8-19-18-6-4-17(28)13-16(18)3-5-20(19)21(24)9-11-25(24,29)14-15-2-7-22(26)23(27)12-15/h2,4,6-7,12-13,19-21,28-29H,3,5,8-11,14H2,1H3/t19-,20-,21+,24+,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Laval University Medical Center (CHUL) Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase activity of JEG-3 cells				J Med Chem 43: 4465-78 (2000) BindingDB Entry DOI: 10.7270/Q2MC90QT
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50366522 (CHEMBL1628091) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H28Cl2O2/c1-24-10-8-19-18-6-4-17(28)13-16(18)3-5-20(19)21(24)9-11-25(24,29)14-15-2-7-22(26)23(27)12-15/h2,4,6-7,12-13,19-21,28-29H,3,5,8-11,14H2,1H3/t19-,20-,21+,24+,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Laval University Curated by ChEMBL					Assay Description Estrone sulfatase activity against homogenized human JEG-3 cells was determined by measuring the [3H]E1 obtained from [3H]E1S				Bioorg Med Chem Lett 8: 1891-6 (1999) BindingDB Entry DOI: 10.7270/Q2PV6KWD
					More data for this Ligand-Target Pair