BDBM50168215 CHEMBL3804916

SMILES: [H][C@@]12CC[C@@](O)(Cc3ccccc3)[C@@]1(C)CC[C@]1([H])c3ccc(cc3CC[C@@]21[H])B(O)O

InChI Key: InChIKey=KCONDDZHSCVPCU-WJGLBBAVSA-N

Data: 1 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 1 hit for monomerid = 50168215   

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))	BDBM50168215 (CHEMBL3804916) Show SMILES [H][C@@]12CC[C@@](O)(Cc3ccccc3)[C@@]1(C)CC[C@]1([H])c3ccc(cc3CC[C@@]21[H])B(O)O |r| Show InChI InChI=1S/C25H31BO3/c1-24-13-11-21-20-10-8-19(26(28)29)15-18(20)7-9-22(21)23(24)12-14-25(24,27)16-17-5-3-2-4-6-17/h2-6,8,10,15,21-23,27-29H,7,9,11-14,16H2,1H3/t21-,22-,23+,24+,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Punjabi University Curated by ChEMBL					Assay Description Reversible inhibition of human estrone sulfatase using 4-methylumbelliferyl sulfate as substrate by fluorimetric assay				Eur J Med Chem 114: 170-90 (2016) BindingDB Entry DOI: 10.7270/Q26Q2048
					More data for this Ligand-Target Pair