null

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

InChI Key InChIKey=CQOQDQWUFQDJMK-SSTWWWIQSA-N

PDB links: 1 PDB ID matches this monomer.

  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 12 hits for monomerid = 50060957   

TargetCytochrome P450 1B1(Homo sapiens (Human))
Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Québec - Research Center, Québec, Québec, Canada; Department of Molecular Medicine, Faculty of Medicine, Université Laval,

Curated by ChEMBL
LigandPNGBDBM50060957(2-Hydroxyestradol 2-methyl ether | 2-methoxy-17bet...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q26Q20QWPubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Québec - Research Center, Québec, Québec, Canada; Department of Molecular Medicine, Faculty of Medicine, Université Laval,

Curated by ChEMBL
LigandPNGBDBM50060957(2-Hydroxyestradol 2-methyl ether | 2-methoxy-17bet...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q26Q20QWPubMed
TargetTubulin beta-2B chain(Bos taurus)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50060957(2-Hydroxyestradol 2-methyl ether | 2-methoxy-17bet...)copy SMILEScopy InChI
Affinity DataIC50: 2.90E+3nMAssay Description:In vitro inhibition of tubulin polymerization.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2J103TXPubMed
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...)copy SMILEScopy InChI
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of polymerization of purified bovine tubulinMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2B56KD4PubMed
TargetTubulin beta-2B chain(Bos taurus)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50060957(2-Hydroxyestradol 2-methyl ether | 2-methoxy-17bet...)copy SMILEScopy InChI
Affinity DataIC50: 5.30E+3nMAssay Description:Inhibitory concentration against bovine brain tubulin polymerizationMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CZ37Z8PubMed
TargetSimilar to alpha-tubulin isoform 1(Bos taurus)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50060957(2-Hydroxyestradol 2-methyl ether | 2-methoxy-17bet...)copy SMILEScopy InChI
Affinity DataIC50: 3.10E+3nMAssay Description:Evaluated for inhibition of tubulin polymerization.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ35CRPubMed
TargetSimilar to alpha-tubulin isoform 1(Bos taurus)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50060957(2-Hydroxyestradol 2-methyl ether | 2-methoxy-17bet...)copy SMILEScopy InChI
Affinity DataIC50: 6.00E+4nMAssay Description:Inhibition of tubulin polymerization using isolated calf brainMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29S1TRHPubMed
TargetSimilar to alpha-tubulin isoform 1(Bos taurus)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50060957(2-Hydroxyestradol 2-methyl ether | 2-methoxy-17bet...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q29S1TRHPubMed
TargetSimilar to alpha-tubulin isoform 1(Bos taurus)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50060957(2-Hydroxyestradol 2-methyl ether | 2-methoxy-17bet...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q29Z97NWPubMed
TargetTubulin beta chain(Sus scrofa)
University of Oslo

Curated by ChEMBL
LigandPNGBDBM50060957(2-Hydroxyestradol 2-methyl ether | 2-methoxy-17bet...)copy SMILEScopy InChI
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of porcine brain tubulin polymerization after 60 minsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21V5GM9PubMed
TargetTubulin beta-2B chain(Bos taurus)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50060957(2-Hydroxyestradol 2-methyl ether | 2-methoxy-17bet...)copy SMILEScopy InChI
Affinity DataIC50: 1.42E+7nMAssay Description:Inhibition of tubulin polymerizationMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2W09522PubMed
TargetSex hormone-binding globulin(Homo sapiens (Human))
University of British Columbia

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