BDBM50363580 CHEMBL1945908

SMILES: C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2NS(=O)(=O)c1cccc(Br)c1

InChI Key: InChIKey=PZOZZJJKMXVPQP-DJCPXJLLSA-N

Data: 2 KI  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 4 hits for monomerid = 50363580   

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))	BDBM50363580 (CHEMBL1945908) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2NS(=O)(=O)c1cccc(Br)c1 |r| Show InChI InChI=1S/C24H28BrNO3S/c1-24-12-11-20-19-8-6-17(27)13-15(19)5-7-21(20)22(24)9-10-23(24)26-30(28,29)18-4-2-3-16(25)14-18/h2-4,6,8,13-14,20-23,26-27H,5,7,9-12H2,1H3/t20-,21-,22+,23+,24+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	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 by Lineweaver-Burk plot analysis				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))	BDBM50363580 (CHEMBL1945908) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2NS(=O)(=O)c1cccc(Br)c1 |r| Show InChI InChI=1S/C24H28BrNO3S/c1-24-12-11-20-19-8-6-17(27)13-15(19)5-7-21(20)22(24)9-10-23(24)26-30(28,29)18-4-2-3-16(25)14-18/h2-4,6,8,13-14,20-23,26-27H,5,7,9-12H2,1H3/t20-,21-,22+,23+,24+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	108	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Mixed type inhibition of steroid sulfatase using 4-methylumbelliferyl sulfate as substrate by Lineweaver-Burk plot analysis				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))	BDBM50363580 (CHEMBL1945908) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2NS(=O)(=O)c1cccc(Br)c1 |r| Show InChI InChI=1S/C24H28BrNO3S/c1-24-12-11-20-19-8-6-17(27)13-15(19)5-7-21(20)22(24)9-10-23(24)26-30(28,29)18-4-2-3-16(25)14-18/h2-4,6,8,13-14,20-23,26-27H,5,7,9-12H2,1H3/t20-,21-,22+,23+,24+/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	25	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of STS (unknown origin) using 4-MUS as substrate measured over 10 mins by fluorescence assay				Bioorg Med Chem 23: 5681-92 (2015) BindingDB Entry DOI: 10.7270/Q2R78H03
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50363580 (CHEMBL1945908) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2NS(=O)(=O)c1cccc(Br)c1 |r| Show InChI InChI=1S/C24H28BrNO3S/c1-24-12-11-20-19-8-6-17(27)13-15(19)5-7-21(20)22(24)9-10-23(24)26-30(28,29)18-4-2-3-16(25)14-18/h2-4,6,8,13-14,20-23,26-27H,5,7,9-12H2,1H3/t20-,21-,22+,23+,24+/m1/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	25	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