BDBM50355362 CHEMBL1835544

SMILES: C[C@]12CC[C@H]3[C@@H](CCc4c(F)c(O)ccc34)[C@@H]1CC[C@@]2(O)Cc1ccccc1

InChI Key: InChIKey=QXHIDJUDUUGHNO-KZYPNPOXSA-N

Data: 2 KI

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 = 50355362   

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))	BDBM50355362 (CHEMBL1835544) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c(F)c(O)ccc34)[C@@H]1CC[C@@]2(O)Cc1ccccc1 |r| Show InChI InChI=1S/C25H29FO2/c1-24-13-11-18-17-9-10-22(27)23(26)20(17)8-7-19(18)21(24)12-14-25(24,28)15-16-5-3-2-4-6-16/h2-6,9-10,18-19,21,27-28H,7-8,11-15H2,1H3/t18-,19-,21+,24+,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	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 human steroid sulfatase using 4-methylumbelliferyl sulfate substrate after 10 mins by fluorescence assay				Bioorg Med Chem 19: 5999-6005 (2011) Article DOI: 10.1016/j.bmc.2011.08.046 BindingDB Entry DOI: 10.7270/Q2FX79VJ
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50355362 (CHEMBL1835544) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c(F)c(O)ccc34)[C@@H]1CC[C@@]2(O)Cc1ccccc1 |r| Show InChI InChI=1S/C25H29FO2/c1-24-13-11-18-17-9-10-22(27)23(26)20(17)8-7-19(18)21(24)12-14-25(24,28)15-16-5-3-2-4-6-16/h2-6,9-10,18-19,21,27-28H,7-8,11-15H2,1H3/t18-,19-,21+,24+,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	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 human steroid sulfatase using 4-methylumbelliferyl sulfate substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 19: 5999-6005 (2011) Article DOI: 10.1016/j.bmc.2011.08.046 BindingDB Entry DOI: 10.7270/Q2FX79VJ
					More data for this Ligand-Target Pair