BindingDB PrimarySearch

null

SMILES: C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)ccc34)[C@@H]1CCC2=O

InChI Key: InChIKey=RVKFQAJIXCZXQY-CBZIJGRNSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 71 hits for monomerid = 50134329
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Steryl-sulfatase (Homo sapiens (Human))	BDBM50134329 (CHEMBL122708 \| Sulfamic acid (11R,12S,15S,16S)-13-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Kingston University Curated by ChEMBL					Assay Description Inhibition of Estrone sulfatase				Bioorg Med Chem Lett 11: 841-4 (2001) BindingDB Entry DOI: 10.7270/Q2JW8FFS
Kingston University Curated by ChEMBL					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50134329 (CHEMBL122708 \| Sulfamic acid (11R,12S,15S,16S)-13-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Kingston University Curated by ChEMBL					Assay Description Inhibition of estrone sulfatase				Bioorg Med Chem Lett 14: 605-9 (2004) BindingDB Entry DOI: 10.7270/Q2H132K6
Kingston University Curated by ChEMBL					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50134329 (CHEMBL122708 \| Sulfamic acid (11R,12S,15S,16S)-13-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Tested for inhibition of estrone sulfatase in placental microsomal preparation (100000 g pellet) using substrate concentration of 20 uM				J Med Chem 37: 219-21 (1994) BindingDB Entry DOI: 10.7270/Q2RV0PBT
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50134329 (CHEMBL122708 \| Sulfamic acid (11R,12S,15S,16S)-13-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Laval University Medical Research Center Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit human embryonal kidney cell derived steroid sulfatase activity in transforming [3H]E1S (estrone sulfat...				J Med Chem 42: 2280-6 (1999) Article DOI: 10.1021/jm980677l BindingDB Entry DOI: 10.7270/Q2SN09M3
Laval University Medical Research Center Curated by ChEMBL					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50134329 (CHEMBL122708 \| Sulfamic acid (11R,12S,15S,16S)-13-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Laval University Medical Research Center Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit the transformation of [C14]-DHEAS to DHEA by steroid sulfatase derived from human embryonal kidney cel...				J Med Chem 42: 2280-6 (1999) Article DOI: 10.1021/jm980677l BindingDB Entry DOI: 10.7270/Q2SN09M3
Laval University Medical Research Center Curated by ChEMBL					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50134329 (CHEMBL122708 \| Sulfamic acid (11R,12S,15S,16S)-13-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description In vitro inhibition of estrone sulfatase in placental microsomes				J Med Chem 42: 3188-92 (1999) Article DOI: 10.1021/jm980717l BindingDB Entry DOI: 10.7270/Q2WD418B
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50134329 (CHEMBL122708 \| Sulfamic acid (11R,12S,15S,16S)-13-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against purified human steroid sulfatase (STS)				J Med Chem 45: 4310-20 (2002) BindingDB Entry DOI: 10.7270/Q2BZ66SF
Novartis Research Institute Vienna Curated by ChEMBL					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50134329 (CHEMBL122708 \| Sulfamic acid (11R,12S,15S,16S)-13-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase				J Med Chem 46: 5091-4 (2003) Article DOI: 10.1021/jm030926s BindingDB Entry DOI: 10.7270/Q2RF5VR1
Novartis Research Institute Vienna Curated by ChEMBL					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50134329 (CHEMBL122708 \| Sulfamic acid (11R,12S,15S,16S)-13-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research GDC Curated by ChEMBL					Assay Description Inhibition of purified human steroid sulfatase				Bioorg Med Chem Lett 14: 4999-5002 (2004) Article DOI: 10.1016/j.bmcl.2004.07.013 BindingDB Entry DOI: 10.7270/Q2Z89D64
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50134329 (CHEMBL122708 \| Sulfamic acid (11R,12S,15S,16S)-13-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Vienna Curated by ChEMBL					Assay Description Inhibitory activity against human steroid sulfatase over-expressed in CHO cells				J Med Chem 47: 4268-76 (2004) Article DOI: 10.1021/jm0407916 BindingDB Entry DOI: 10.7270/Q2XW4KK4
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50134329 (CHEMBL122708 \| Sulfamic acid (11R,12S,15S,16S)-13-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against Steroid sulfatase expressed in CHO cells				Bioorg Med Chem Lett 13: 3673-7 (2003) BindingDB Entry DOI: 10.7270/Q27S7N5G
Novartis Research Institute Vienna Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50134329 (CHEMBL122708 \| Sulfamic acid (11R,12S,15S,16S)-13-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of human CA2 by colorimetric assay				J Med Chem 53: 2155-70 (2010) Article DOI: 10.1021/jm901705h BindingDB Entry DOI: 10.7270/Q2959JGF
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Steryl-sulfatase (Homo sapiens (Human))	BDBM50134329 (CHEMBL122708 \| Sulfamic acid (11R,12S,15S,16S)-13-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.830	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
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50134329 (CHEMBL122708 \| Sulfamic acid (11R,12S,15S,16S)-13-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	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
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50134329 (CHEMBL122708 \| Sulfamic acid (11R,12S,15S,16S)-13-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Kingston University Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against estrone sulfatase enzyme				Bioorg Med Chem Lett 12: 1343-6 (2002) BindingDB Entry DOI: 10.7270/Q23N23X6
Kingston University Curated by ChEMBL					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50134329 (CHEMBL122708 \| Sulfamic acid (11R,12S,15S,16S)-13-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0650	n/a	n/a	n/a	n/a	n/a	n/a
Gdansk University of Technology Curated by ChEMBL					Assay Description Inhibition of STS in human MCF7 cells				Eur J Med Chem 128: 79-87 (2017) Article DOI: 10.1016/j.ejmech.2017.01.028 BindingDB Entry DOI: 10.7270/Q2KD21WV
Gdansk University of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50134329 (CHEMBL122708 \| Sulfamic acid (11R,12S,15S,16S)-13-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
University of Sharjah Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase (unknown origin)				Eur J Med Chem 179: 257-271 (2019) Article DOI: 10.1016/j.ejmech.2019.06.052 BindingDB Entry DOI: 10.7270/Q2B27ZQ2
University of Sharjah Curated by ChEMBL					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50134329 (CHEMBL122708 \| Sulfamic acid (11R,12S,15S,16S)-13-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
University of Sharjah Curated by ChEMBL					Assay Description Inhibition of human placental steroid sulfatase expressed in HEK293 cells using [3H] E1S as substrate after 2 hrs by liquid scintillation counting me...				Eur J Med Chem 179: 257-271 (2019) Article DOI: 10.1016/j.ejmech.2019.06.052 BindingDB Entry DOI: 10.7270/Q2B27ZQ2
University of Sharjah Curated by ChEMBL					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50134329 (CHEMBL122708 \| Sulfamic acid (11R,12S,15S,16S)-13-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
CHU de Qu£bec - Research Center Curated by ChEMBL					Assay Description Reversible inhibition of steroid sulfatase in human JEG3 cells using [3H] E1S as substrate by scintillation counting method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115368 BindingDB Entry DOI: 10.7270/Q2V98CNK
CHU de Qu£bec - Research Center Curated by ChEMBL					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50134329 (CHEMBL122708 \| Sulfamic acid (11R,12S,15S,16S)-13-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d0md00372g BindingDB Entry DOI: 10.7270/Q26Q227F
TBA					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50134329 (CHEMBL122708 \| Sulfamic acid (11R,12S,15S,16S)-13-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0650	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02220 BindingDB Entry DOI: 10.7270/Q20869C9
TBA					More data for this Ligand-Target Pair

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