null

SMILES NS(=O)(=O)Oc1ccc2nc(C=C3C4CC5CC(C4)CC3C5)oc2c1

InChI Key InChIKey=WVFKHABTVMXMAX-DHDCSXOGSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50136297   

TargetSteryl-sulfatase(Homo sapiens (Human))
Novartis Forschungsinstitut

Curated by ChEMBL
LigandPNGBDBM50136297(CHEMBL136112 | Sulfamic acid 2-adamantan-2-ylidene...)copy SMILEScopy InChI
Affinity DataKi:  6.00E+3nMAssay Description:Inhibitory constant against human steroid sulfatase in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q28S4QGHPubMed
TargetSteryl-sulfatase(Homo sapiens (Human))
Novartis Forschungsinstitut

Curated by ChEMBL
LigandPNGBDBM50136297(CHEMBL136112 | Sulfamic acid 2-adamantan-2-ylidene...)copy SMILEScopy InChI
Affinity DataIC50: 0.150nMAssay Description:Inhibition of steroid sulfatase (unknown origin) expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B27ZQ2PubMed
TargetSteryl-sulfatase(Homo sapiens (Human))
Novartis Forschungsinstitut

Curated by ChEMBL
LigandPNGBDBM50136297(CHEMBL136112 | Sulfamic acid 2-adamantan-2-ylidene...)copy SMILEScopy InChI
Affinity DataIC50: 32nMAssay Description:Inhibitory constant against human steroid sulfatase in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q28S4QGHPubMed
TargetSteryl-sulfatase(Homo sapiens (Human))
Novartis Forschungsinstitut

Curated by ChEMBL
LigandPNGBDBM50136297(CHEMBL136112 | Sulfamic acid 2-adamantan-2-ylidene...)copy SMILEScopy InChI
Affinity DataIC50: 0.75nMAssay Description:Inhibitory activity against human steroid sulfatase expressing in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q28S4QGHPubMed
TargetSteryl-sulfatase(Homo sapiens (Human))
Novartis Forschungsinstitut

Curated by ChEMBL
LigandPNGBDBM50136297(CHEMBL136112 | Sulfamic acid 2-adamantan-2-ylidene...)copy SMILEScopy InChI
Affinity DataIC50: 2.30nMAssay Description:Inhibitory activity against STS in human MCF-7 breast cancer cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q28S4QGHPubMed
TargetSteryl-sulfatase(Homo sapiens (Human))
Novartis Forschungsinstitut

Curated by ChEMBL
LigandPNGBDBM50136297(CHEMBL136112 | Sulfamic acid 2-adamantan-2-ylidene...)copy SMILEScopy InChI
Affinity DataIC50: 970nMAssay Description:Inhibition of human aryl sulfatase using p-nitrocatechol sulfate as substrate incubated for 30 mins by microplate reader analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26Q2048PubMed
TargetSteryl-sulfatase(Homo sapiens (Human))
Novartis Forschungsinstitut

Curated by ChEMBL
LigandPNGBDBM50136297(CHEMBL136112 | Sulfamic acid 2-adamantan-2-ylidene...)copy SMILEScopy InChI
Affinity DataIC50: 32nMAssay Description:Inhibition of human estrone sulfatase expressed in CHO cells using estrone sulphate as substrateMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26Q2048PubMed
TargetSteryl-sulfatase(Homo sapiens (Human))
Novartis Forschungsinstitut

Curated by ChEMBL
LigandPNGBDBM50136297(CHEMBL136112 | Sulfamic acid 2-adamantan-2-ylidene...)copy SMILEScopy InChI
Affinity DataIC50: 0.770nMAssay Description:Inhibition of estrone sulfatase in human MCF7 cells using estrone sulphate as substrateMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26Q2048PubMed
TargetSteryl-sulfatase(Homo sapiens (Human))
Novartis Forschungsinstitut

Curated by ChEMBL
LigandPNGBDBM50136297(CHEMBL136112 | Sulfamic acid 2-adamantan-2-ylidene...)copy SMILEScopy InChI
Affinity DataIC50: 0.75nMAssay Description:Inhibition of estrone sulfatase human keratinocytes using DHEAS as substrateMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26Q2048PubMed
TargetSteryl-sulfatase(Homo sapiens (Human))
Novartis Forschungsinstitut

Curated by ChEMBL
LigandPNGBDBM50136297(CHEMBL136112 | Sulfamic acid 2-adamantan-2-ylidene...)copy SMILEScopy InChI
Affinity DataIC50: 2.30nMAssay Description:Inhibition of estrone sulfatase in human skin fibroblasts using DHEAS as substrateMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26Q2048PubMed
TargetSteryl-sulfatase(Homo sapiens (Human))
Novartis Forschungsinstitut

Curated by ChEMBL
LigandPNGBDBM50136297(CHEMBL136112 | Sulfamic acid 2-adamantan-2-ylidene...)copy SMILEScopy InChI
Affinity DataIC50: 0.150nMAssay Description:Inhibition of estrone sulfatase in human sebocytes using DHEAS as substrateMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26Q2048PubMed
TargetEstrogen receptor(Homo sapiens (Human))
Novartis Forschungsinstitut

Curated by ChEMBL
LigandPNGBDBM50136297(CHEMBL136112 | Sulfamic acid 2-adamantan-2-ylidene...)copy SMILEScopy InChI
Affinity DataEC50: >1.00E+5nMAssay Description:Affinity for human estrogen receptor alphaMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q28S4QGHPubMed
TargetEstrogen receptor beta(Homo sapiens (Human))
Novartis Forschungsinstitut

Curated by ChEMBL
LigandPNGBDBM50136297(CHEMBL136112 | Sulfamic acid 2-adamantan-2-ylidene...)copy SMILEScopy InChI
Affinity DataEC50: >1.00E+5nMAssay Description:Affinity for human estrogen receptor betaMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q28S4QGHPubMed
TargetSteryl-sulfatase(Homo sapiens (Human))
Novartis Forschungsinstitut

Curated by ChEMBL
LigandPNGBDBM50136297(CHEMBL136112 | Sulfamic acid 2-adamantan-2-ylidene...)copy SMILEScopy InChI
Affinity DataIC50: 970nMAssay Description:Inhibition of steroid sulfatase (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B27ZQ2PubMed
TargetSteryl-sulfatase(Homo sapiens (Human))
Novartis Forschungsinstitut

Curated by ChEMBL
LigandPNGBDBM50136297(CHEMBL136112 | Sulfamic acid 2-adamantan-2-ylidene...)copy SMILEScopy InChI
Affinity DataIC50: 0.150nMAssay Description:Inhibition of steroid sulfatase (unknown origin) expressed in human MCF7 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B27ZQ2PubMed
TargetSteryl-sulfatase(Homo sapiens (Human))
Novartis Forschungsinstitut

Curated by ChEMBL
LigandPNGBDBM50136297(CHEMBL136112 | Sulfamic acid 2-adamantan-2-ylidene...)copy SMILEScopy InChI
Affinity DataIC50: 0.150nMAssay Description:Inhibitory activity against human steroid sulfatase in sebocytesMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q28S4QGHPubMed
TargetSteryl-sulfatase(Homo sapiens (Human))
Novartis Forschungsinstitut

Curated by ChEMBL
LigandPNGBDBM50136297(CHEMBL136112 | Sulfamic acid 2-adamantan-2-ylidene...)copy SMILEScopy InChI
Affinity DataIC50: 0.770nMAssay Description:Inhibition of human STS in keratinocytesMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q28S4QGHPubMed