BDBM50060957 2-Hydroxyestradol 2-methyl ether::2-methoxy-17beta-estradiol::CHEMBL299613::Panzem

SMILES COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O

InChI Key InChIKey=CQOQDQWUFQDJMK-SSTWWWIQSA-N

Data  2 KI  9 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50060957   

TargetCytochrome P450 1B1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50060957(2-Hydroxyestradol 2-methyl ether | 2-methoxy-17bet...)
Affinity DataKi:  3.60E+4nMAssay Description:Inhibition of recombinant CYP1B1 (unknown origin) expressed in Escherichia coli DH5alphaF'Iq coexpressing human NADPH-P450 reductase using E2-d4 as s...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50060957(2-Hydroxyestradol 2-methyl ether | 2-methoxy-17bet...)
Affinity DataKi:  8.80E+4nMAssay Description:Inhibition of recombinant CYP1A1 (unknown origin) expressed in Escherichia coli DH5alphaF'Iq coexpressing human NADPH-P450 reductase using E2-d4 as s...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTubulin beta-2B chain(Bos taurus)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50060957(2-Hydroxyestradol 2-methyl ether | 2-methoxy-17bet...)
Affinity DataIC50:  2.90E+3nMAssay Description:In vitro inhibition of tubulin polymerization.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSimilar to alpha-tubulin isoform 1/Tubulin beta-2B chain(Bos taurus)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50060957(2-Hydroxyestradol 2-methyl ether | 2-methoxy-17bet...)
Affinity DataIC50:  1.40E+3nMAssay Description:Inhibition of polymerization of purified bovine tubulinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTubulin beta-2B chain(Bos taurus)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50060957(2-Hydroxyestradol 2-methyl ether | 2-methoxy-17bet...)
Affinity DataIC50:  5.30E+3nMAssay Description:Inhibitory concentration against bovine brain tubulin polymerizationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSimilar to alpha-tubulin isoform 1(Bos taurus)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50060957(2-Hydroxyestradol 2-methyl ether | 2-methoxy-17bet...)
Affinity DataIC50:  3.10E+3nMAssay Description:Evaluated for inhibition of tubulin polymerization.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSimilar to alpha-tubulin isoform 1(Bos taurus)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50060957(2-Hydroxyestradol 2-methyl ether | 2-methoxy-17bet...)
Affinity DataIC50:  6.00E+4nMAssay Description:Inhibition of tubulin polymerization using isolated calf brainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSimilar to alpha-tubulin isoform 1(Bos taurus)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50060957(2-Hydroxyestradol 2-methyl ether | 2-methoxy-17bet...)
Affinity DataIC50:  1.20E+4nMAssay Description:Inhibition of tubulin polymerization using isolated calf brain at 26 degrees CMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSimilar to alpha-tubulin isoform 1(Bos taurus)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50060957(2-Hydroxyestradol 2-methyl ether | 2-methoxy-17bet...)
Affinity DataIC50:  4.70E+3nMAssay Description:Inhibition of tubulin polymerization measured at 12 uM tubulin concentration.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTubulin beta chain(Sus scrofa)
University Of Oslo

Curated by ChEMBL
LigandPNGBDBM50060957(2-Hydroxyestradol 2-methyl ether | 2-methoxy-17bet...)
Affinity DataIC50:  2.20E+3nMAssay Description:Inhibition of porcine brain tubulin polymerization after 60 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTubulin beta-2B chain(Bos taurus)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50060957(2-Hydroxyestradol 2-methyl ether | 2-methoxy-17bet...)
Affinity DataIC50:  1.42E+7nMAssay Description:Inhibition of tubulin polymerizationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSex hormone-binding globulin(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM50060957(2-Hydroxyestradol 2-methyl ether | 2-methoxy-17bet...)
Affinity DataKd:  0.832nMAssay Description:Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulinMore data for this Ligand-Target Pair