BindingDB PrimarySearch

null

SMILES: COc1cc2[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CCc2cc1OS(N)(=O)=O)OS(N)(=O)=O

InChI Key: InChIKey=AQSNIXKAKUZPSI-SSTWWWIQSA-N

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50200936
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
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50200936 ((9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	379	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of human CA2				J Med Chem 49: 7683-96 (2006) Article DOI: 10.1021/jm060705x BindingDB Entry DOI: 10.7270/Q2Z89C2X
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Steryl-sulfatase (Homo sapiens (Human))	BDBM50200936 ((9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of STS in placental microsomes by radiometric assay				J Med Chem 49: 7683-96 (2006) Article DOI: 10.1021/jm060705x BindingDB Entry DOI: 10.7270/Q2Z89C2X
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50200936 ((9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase-mediated coversion of [3H]E1S to E1				J Med Chem 51: 1295-308 (2008) Article DOI: 10.1021/jm701319c BindingDB Entry DOI: 10.7270/Q2M0468S
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50200936 ((9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	3.75E+3	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 2 (unknown origin) by isothermal calorimetry assay				J Med Chem 62: 2202-2212 (2019) Article DOI: 10.1021/acs.jmedchem.8b01990 BindingDB Entry DOI: 10.7270/Q2765JSP
University of Florida Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50200936 ((9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 2 (unknown origin) by stopped-flow CO2 hydration assay				J Med Chem 62: 2202-2212 (2019) Article DOI: 10.1021/acs.jmedchem.8b01990 BindingDB Entry DOI: 10.7270/Q2765JSP
University of Florida Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50200936 ((9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 9 (unknown origin) expressed in Escherichia coli BL21 by stopped-flow CO2 hydration assay				J Med Chem 62: 2202-2212 (2019) Article DOI: 10.1021/acs.jmedchem.8b01990 BindingDB Entry DOI: 10.7270/Q2765JSP
University of Florida Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50200936 ((9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	605	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 9 (unknown origin) expressed in Escherichia coli BL21 by isothermal calorimetry assay				J Med Chem 62: 2202-2212 (2019) Article DOI: 10.1021/acs.jmedchem.8b01990 BindingDB Entry DOI: 10.7270/Q2765JSP
University of Florida Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50200936 ((9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	379	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2				J Med Chem 51: 1295-308 (2008) Article DOI: 10.1021/jm701319c BindingDB Entry DOI: 10.7270/Q2M0468S
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)