BDBM13058 6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-3-yl sulfamate::667-COUMATE::667COUMATE::BN83495::CHEMBL286738::CMT::STX64::{9-oxo-8-oxatricyclo[8.5.0.0^{2,7}]pentadeca-1(10),2(7),3,5-tetraen-5-yl} sulfamate

SMILES: NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1

InChI Key: InChIKey=DSLPMJSGSBLWRE-UHFFFAOYSA-N

Data: 12 KI  23 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

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 36 hits for monomerid = 13058   

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
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem Lett 18: 4282-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.105 BindingDB Entry DOI: 10.7270/Q27D2SF1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	21	-10.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem Lett 18: 4282-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.105 BindingDB Entry DOI: 10.7270/Q27D2SF1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem Lett 18: 4282-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.105 BindingDB Entry DOI: 10.7270/Q27D2SF1
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	24	-10.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem Lett 18: 4282-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.105 BindingDB Entry DOI: 10.7270/Q27D2SF1
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem Lett 18: 4282-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.105 BindingDB Entry DOI: 10.7270/Q27D2SF1
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	653	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem Lett 18: 4282-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.105 BindingDB Entry DOI: 10.7270/Q27D2SF1
					More data for this Ligand-Target Pair
Carbonic Anhydrase VB (Homo sapiens (Human))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	720	-8.37	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem Lett 18: 4282-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.105 BindingDB Entry DOI: 10.7270/Q27D2SF1
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIV (Homo sapiens (Human))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	755	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem Lett 18: 4282-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.105 BindingDB Entry DOI: 10.7270/Q27D2SF1
					More data for this Ligand-Target Pair
Carbonic Anhydrase VA (Homo sapiens (Human))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	765	-8.34	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem Lett 18: 4282-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.105 BindingDB Entry DOI: 10.7270/Q27D2SF1
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIII (Mus musculus (mouse))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem Lett 18: 4282-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.105 BindingDB Entry DOI: 10.7270/Q27D2SF1
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.45E+3	-7.45	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem Lett 18: 4282-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.105 BindingDB Entry DOI: 10.7270/Q27D2SF1
					More data for this Ligand-Target Pair
Carbonic Anhydrase III (Homo sapiens (Human))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.00E+5	-4.30	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem Lett 18: 4282-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.105 BindingDB Entry DOI: 10.7270/Q27D2SF1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Compound was tested for inhibition of human carbonic anhydrase (hCA II)				Bioorg Med Chem Lett 13: 863-5 (2003) BindingDB Entry DOI: 10.7270/Q2319WFW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Steryl-sulfatase (Homo sapiens (Human))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Kingston University Curated by ChEMBL					Assay Description Tested for the inhibitory activity against Estrone Sulfatase				Bioorg Med Chem Lett 11: 3001-5 (2001) BindingDB Entry DOI: 10.7270/Q2W959QT
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	210	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
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
P.C. Jabin Science College Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase (unknown origin)				Eur J Med Chem 74: 225-33 (2014) Article DOI: 10.1016/j.ejmech.2013.12.061 BindingDB Entry DOI: 10.7270/Q20866SF
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	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 JEG3 cells by scintillation spectrometry				J Med Chem 53: 2155-70 (2010) Article DOI: 10.1021/jm901705h BindingDB Entry DOI: 10.7270/Q2959JGF
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of aromatse in human JEG3 cells by scintillation spectrometry				J Med Chem 53: 2155-70 (2010) Article DOI: 10.1021/jm901705h BindingDB Entry DOI: 10.7270/Q2959JGF
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	0.210	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
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of STS in human T47D cells preincubated for 1 hr followed by addition of [3H]-E1S/E1S as substrate measured after 24 hrs by HPLC based rad...				J Med Chem 60: 4086-4092 (2017) Article DOI: 10.1021/acs.jmedchem.7b00062 BindingDB Entry DOI: 10.7270/Q2J968VG
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placental microsomal STS assessed as formation of E1 preincubated for 30 mins followed by addition of E1S as substrate measured a...				J Med Chem 60: 4086-4092 (2017) Article DOI: 10.1021/acs.jmedchem.7b00062 BindingDB Entry DOI: 10.7270/Q2J968VG
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Irreversible inhibition of STS in human T47D cells preincubated for 2 hrs followed by compound washout and addition of [3H]-E1S/E1S as substrate meas...				J Med Chem 60: 4086-4092 (2017) Article DOI: 10.1021/acs.jmedchem.7b00062 BindingDB Entry DOI: 10.7270/Q2J968VG
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Sharjah Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human JEG3 cell lysates using [3H] E1S as substrate after 1 hr by scintillation spectrometry analysis				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Irreversible inhibition of steroid sulfatase in human intact MCF7 cells				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))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human intact MCF7 cells				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))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Punjabi University Curated by ChEMBL					Assay Description Inhibition of placental microsomal estrone sulfatase (unknown origin) using [3H]-estrone sulphate as substrate				Eur J Med Chem 114: 170-90 (2016) BindingDB Entry DOI: 10.7270/Q26Q2048
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	421	n/a	n/a	n/a	n/a	n/a	n/a
University of Sharjah Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human JEG-3 cells assessed as [14C]-Estrone formation using [3H]E1S as substrate				Bioorg Med Chem 24: 2762-7 (2016) Article DOI: 10.1016/j.bmc.2016.04.040 BindingDB Entry DOI: 10.7270/Q2XD13KC
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Natural Products Research and Infection Biology Curated by ChEMBL					Assay Description Inhibition of Estrone sulfatase in human placental microsome				J Med Chem 50: 3661-6 (2007) Article DOI: 10.1021/jm0611657 BindingDB Entry DOI: 10.7270/Q2VD6Z45
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	7.5	37
University of Bath					Assay Description The extent of in vitro inhibition of aromatase activities was assessed using intact monolayers of JEG-3 cells. Aromatase activity was measured using ...				J Med Chem 51: 4226-38 (2008) Article DOI: 10.1021/jm800168s BindingDB Entry DOI: 10.7270/Q26W98DJ
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath					Assay Description The extent of in vitro inhibition of sulfatase activities was assessed using intact monolayers of JEG-3 cells. Sulfatase activity was measured using ...				J Med Chem 50: 3540-60 (2007) Article DOI: 10.1021/jm061462b BindingDB Entry DOI: 10.7270/Q2348HP4
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	7.5	37
University of Bath					Assay Description The extent of in vitro inhibition of sulfatase activities was assessed using intact monolayers of JEG-3 cells. Sulfatase activity was measured using ...				J Med Chem 51: 4226-38 (2008) Article DOI: 10.1021/jm800168s BindingDB Entry DOI: 10.7270/Q26W98DJ
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
St. Maryamppound39s Hospital					Assay Description The extent of in vitro inhibition of sulfatase activities was assessed using intact monolayers of JEG-3 cells. Sulfatase activity was measured using ...				Biochem Biophys Res Commun 305: 909-14 (2003) Article DOI: 10.1016/s0006-291x(03)00865-9 BindingDB Entry DOI: 10.7270/Q2TD9VKK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	7.8	20
St. Maryamppound39s Hospital					Assay Description The in vitro inhibition of carbonic anhydrase was assessed by a colorimetric assay. Carbonic anhydrase-catalysed hydrolysis of p-nitrophenyl acetate ...				Biochem Biophys Res Commun 305: 909-14 (2003) Article DOI: 10.1016/s0006-291x(03)00865-9 BindingDB Entry DOI: 10.7270/Q2TD9VKK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Steryl-sulfatase (Homo sapiens (Human))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Sharjah Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human JEG3 cells using [3H] E1S as substrate incubated for 20 hrs by scintillation spectrometry analysis				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	7.8	20
University of Bath					Assay Description The in vitro inhibition of carbonic anhydrase was assessed by a colorimetric assay. Carbonic anhydrase-catalysed hydrolysis of p-nitrophenyl acetate ...				Biochemistry 44: 6858-66 (2005) Article DOI: 10.1021/bi047692e BindingDB Entry DOI: 10.7270/Q2125QVD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM13058 (6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...) Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	45	n/a	n/a	n/a	7.6	30
University of Bath					Assay Description Dissociation constant of 667-coumate was measured for tight-binding inhibitors of CA II. The formation of the 4-nitrophenol was monitored at 348 nm f...				Biochemistry 44: 6858-66 (2005) Article DOI: 10.1021/bi047692e BindingDB Entry DOI: 10.7270/Q2125QVD
					More data for this Ligand-Target Pair				3D Structure (crystal)